 Entering Gaussian System, Link 0=g16
 Input=16_3carene_STD_wB97XD-def2SVPDr.in
 Output=16_3carene_STD_wB97XD-def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_def2SVPD/16_3carene_STD/Gau-233650.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_def2SVPD/16_3carene_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    233651.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                22-Jul-2021 
 ******************************************
 %NoSave
 %nproc=12
 Will use up to   12 processors via shared memory.
 %mem=128GB
 %chk=16_3carene_STD_wB97XD-def2SVPDr
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Jul 22 20:03:16 2021, MaxMem= 17179869184 cpu:               1.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "16_3carene_STD_wB97XD-def2SVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.576059000000     -0.547983000000     -0.947443000000
  C                                                 0.890468000000      0.902427000000     -0.657284000000
  C                                                -0.802273000000     -1.098603000000     -0.653320000000
  C                                                -1.791447000000     -0.132514000000     -0.059048000000
  C                                                -3.143825000000     -0.710364000000      0.239514000000
  C                                                -1.497746000000      1.141771000000      0.186488000000
  C                                                -0.177796000000      1.802825000000     -0.074903000000
  C                                                 1.553152000000     -0.190698000000      0.146729000000
  H                                                 1.028285000000     -0.960644000000     -1.841695000000
  H                                                 1.539725000000      1.397239000000     -1.369979000000
  H                                                -3.606037000000     -1.117137000000     -0.665576000000
  H                                                -3.817128000000      0.036487000000      0.660286000000
  H                                                -3.065712000000     -1.539941000000      0.949730000000
  H                                                 0.180173000000      2.267717000000      0.852903000000
  H                                                -0.342920000000      2.638631000000     -0.763675000000
  C                                                 1.181093000000     -0.401023000000      1.596800000000
  C                                                 3.016369000000     -0.450660000000     -0.138002000000
  H                                                 0.128051000000     -0.210909000000      1.793600000000
  H                                                 1.766600000000      0.261136000000      2.240469000000
  H                                                 1.400175000000     -1.428043000000      1.901625000000
  H                                                 3.251657000000     -0.290389000000     -1.191686000000
  H                                                 3.287167000000     -1.480442000000      0.112381000000
  H                                                 3.654322000000      0.213667000000      0.452009000000
  H                                                -0.731082000000     -1.975159000000      0.004567000000
  H                                                -1.231206000000     -1.482577000000     -1.585866000000
  H                                                -2.266393000000      1.779290000000      0.613726000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1
 NAtoms=     26 NQM=       26 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           0           0           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1           1           1           1          12          12           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           0           0           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26
 IAtWgt=           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Jul 22 20:03:16 2021, MaxMem= 17179869184 cpu:               1.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.576059   -0.547983   -0.947443
      2          6           0        0.890468    0.902427   -0.657284
      3          6           0       -0.802273   -1.098603   -0.653320
      4          6           0       -1.791447   -0.132514   -0.059048
      5          6           0       -3.143825   -0.710364    0.239514
      6          6           0       -1.497746    1.141771    0.186488
      7          6           0       -0.177796    1.802825   -0.074903
      8          6           0        1.553152   -0.190698    0.146729
      9          1           0        1.028285   -0.960644   -1.841695
     10          1           0        1.539725    1.397239   -1.369979
     11          1           0       -3.606037   -1.117137   -0.665576
     12          1           0       -3.817128    0.036487    0.660286
     13          1           0       -3.065712   -1.539941    0.949730
     14          1           0        0.180173    2.267717    0.852903
     15          1           0       -0.342920    2.638631   -0.763675
     16          6           0        1.181093   -0.401023    1.596800
     17          6           0        3.016369   -0.450660   -0.138002
     18          1           0        0.128051   -0.210909    1.793600
     19          1           0        1.766600    0.261136    2.240469
     20          1           0        1.400175   -1.428043    1.901625
     21          1           0        3.251657   -0.290389   -1.191686
     22          1           0        3.287167   -1.480442    0.112381
     23          1           0        3.654322    0.213667    0.452009
     24          1           0       -0.731082   -1.975159    0.004567
     25          1           0       -1.231206   -1.482577   -1.585866
     26          1           0       -2.266393    1.779290    0.613726
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.512195   0.000000
     3  C    1.513106   2.620975   0.000000
     4  C    2.562605   2.936266   1.504976   0.000000
     5  C    3.908039   4.436312   2.535892   1.500659   0.000000
     6  C    2.905466   2.544170   2.491633   1.330545   2.478466
     7  C    2.618381   1.513629   3.023710   2.519853   3.900296
     8  C    1.509826   1.510136   2.648093   3.351428   4.726548
     9  H    1.083736   2.211980   2.186827   3.437225   4.669108
    10  H    2.211578   1.083655   3.496825   3.892993   5.382202
    11  H    4.230049   4.929226   2.803852   2.151766   1.094665
    12  H    4.714498   4.964605   3.478986   2.156244   1.090033
    13  H    4.224422   4.919249   2.808506   2.149938   1.094855
    14  H    3.365433   2.156200   3.816545   3.237290   4.504906
    15  H    3.321566   2.132362   3.766975   3.205304   4.479646
    16  C    2.619320   2.619988   3.079513   3.413198   4.543438
    17  C    2.572893   2.572927   3.907353   4.818978   6.177213
    18  H    2.797793   2.797790   2.764222   2.668880   3.656475
    19  H    3.497834   3.094484   4.101465   4.254696   5.390724
    20  H    3.093681   3.498415   3.389255   3.963469   4.891381
    21  H    2.699043   2.698816   4.168620   5.171140   6.567108
    22  H    3.056602   3.466210   4.177992   5.257244   6.478182
    23  H    3.466162   3.056765   4.775463   5.480641   6.863949
    24  H    2.156797   3.368675   1.098287   2.126914   2.734271
    25  H    2.132430   3.324456   1.095930   2.113697   2.754349
    26  H    3.991614   3.514275   3.468619   2.081632   2.666139
                    6          7          8          9         10
     6  C    0.000000
     7  C    1.499195   0.000000
     8  C    3.329419   2.649422   0.000000
     9  H    3.861931   3.494703   2.195935   0.000000
    10  H    3.422584   2.188972   2.195934   2.458394   0.000000
    11  H    3.205241   4.541796   5.304277   4.783794   5.770367
    12  H    2.612598   4.111592   5.399561   5.543664   5.888081
    13  H    3.198849   4.534756   4.878439   4.988833   5.934486
    14  H    2.127740   1.097766   2.903026   4.289810   2.747238
    15  H    2.115898   1.095557   3.525483   3.999639   2.335168
    16  C    3.397848   3.081901   1.511744   3.487087   3.487713
    17  C    4.797746   3.909586   1.513161   2.667420   2.667016
    18  H    2.656270   2.764050   2.177959   3.819410   3.819319
    19  H    3.956047   3.393881   2.152548   4.324571   3.791772
    20  H    4.235987   4.103068   2.152692   3.790674   4.324938
    21  H    5.148522   4.170120   2.164766   2.411459   2.410516
    22  H    5.456820   4.777121   2.161349   3.031691   3.678586
    23  H    5.241725   4.181888   2.161394   3.679151   3.031832
    24  H    3.214984   3.819110   2.902109   2.744685   4.291737
    25  H    3.177969   3.766503   3.524697   2.333059   4.002250
    26  H    1.086177   2.199318   4.322946   4.938748   4.309012
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.770118   0.000000
    13  H    1.754972   1.770178   0.000000
    14  H    5.300793   4.581911   5.004339   0.000000
    15  H    4.976279   4.568253   5.273501   1.739117   0.000000
    16  C    5.343012   5.103987   4.444231   2.945742   4.139318
    17  C    6.676735   6.897192   6.273867   4.051601   4.606518
    18  H    4.562040   4.112182   3.560697   2.651644   3.857635
    19  H    6.261786   5.807363   5.316119   2.910061   4.373493
    20  H    5.634655   5.559318   4.567578   4.030740   5.165273
    21  H    6.927357   7.314668   6.786471   4.489796   4.656537
    22  H    6.946472   7.285072   6.408102   4.924478   5.559835
    23  H    7.465444   7.476452   6.962882   4.055804   4.830764
    24  H    3.074193   3.741706   2.556021   4.421771   4.693391
    25  H    2.572995   3.746965   3.130168   4.690873   4.295277
    26  H    3.438103   2.333304   3.430613   2.506282   2.517032
                   16         17         18         19         20
    16  C    0.000000
    17  C    2.525914   0.000000
    18  H    1.088012   3.482951   0.000000
    19  H    1.093427   2.779514   1.762771   0.000000
    20  H    1.093474   2.779827   1.763912   1.761365   0.000000
    21  H    3.474929   1.091466   4.321477   3.780114   3.780319
    22  H    2.793599   1.093835   3.797134   3.142288   2.600938
    23  H    2.793788   1.093813   3.796672   2.600834   3.142893
    24  H    2.944405   4.048186   2.655433   4.029726   2.905240
    25  H    4.137428   4.604678   3.858174   5.164128   4.369180
    26  H    4.195874   5.783195   3.329618   4.606096   5.038789
                   21         22         23         24         25
    21  H    0.000000
    22  H    1.765808   0.000000
    23  H    1.765770   1.766396   0.000000
    24  H    4.486834   4.050024   4.921680   0.000000
    25  H    4.655400   4.826981   5.558648   1.738459   0.000000
    26  H    6.163762   6.459042   6.126352   4.101724   4.068119
                   26
    26  H    0.000000
 Stoichiometry    C10H16
 Framework group  C1[X(C10H16)]
 Deg. of freedom    72
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.57D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.576059   -0.547983   -0.947443
      2          6           0        0.890468    0.902427   -0.657284
      3          6           0       -0.802273   -1.098603   -0.653320
      4          6           0       -1.791447   -0.132514   -0.059048
      5          6           0       -3.143825   -0.710364    0.239514
      6          6           0       -1.497746    1.141771    0.186488
      7          6           0       -0.177796    1.802825   -0.074903
      8          6           0        1.553152   -0.190698    0.146729
      9          1           0        1.028285   -0.960644   -1.841695
     10          1           0        1.539725    1.397239   -1.369979
     11          1           0       -3.606037   -1.117137   -0.665576
     12          1           0       -3.817128    0.036487    0.660286
     13          1           0       -3.065712   -1.539941    0.949730
     14          1           0        0.180173    2.267717    0.852903
     15          1           0       -0.342920    2.638631   -0.763675
     16          6           0        1.181093   -0.401023    1.596800
     17          6           0        3.016369   -0.450660   -0.138002
     18          1           0        0.128051   -0.210909    1.793600
     19          1           0        1.766600    0.261136    2.240469
     20          1           0        1.400175   -1.428043    1.901625
     21          1           0        3.251657   -0.290389   -1.191686
     22          1           0        3.287167   -1.480442    0.112381
     23          1           0        3.654322    0.213667    0.452009
     24          1           0       -0.731082   -1.975159    0.004567
     25          1           0       -1.231206   -1.482577   -1.585866
     26          1           0       -2.266393    1.779290    0.613726
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.4724293           0.9589096           0.8790852
 Leave Link  202 at Thu Jul 22 20:03:16 2021, MaxMem= 17179869184 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       9     10     11     12     13     14     15     18     19     20
 Centers:      21     22     23     24     25     26
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8     16     17
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   348 symmetry adapted cartesian basis functions of A   symmetry.
 There are   328 symmetry adapted basis functions of A   symmetry.
   328 basis functions,   480 primitive gaussians,   348 cartesian basis functions
    38 alpha electrons       38 beta electrons
       nuclear repulsion energy       551.5317654388 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   26 NActive=   26 NUniq=   26 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0195032933 Hartrees.
 Nuclear repulsion after empirical dispersion term =      551.5122621454 Hartrees.
 Leave Link  301 at Thu Jul 22 20:03:17 2021, MaxMem= 17179869184 cpu:               6.8 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   328 RedAO= T EigKep=  1.39D-05  NBF=   328
 NBsUse=   328 1.00D-06 EigRej= -1.00D+00 NBFU=   328
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   348   348   348   348   348 MxSgAt=    26 MxSgA2=    26.
 Leave Link  302 at Thu Jul 22 20:03:17 2021, MaxMem= 17179869184 cpu:               3.8 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Jul 22 20:03:17 2021, MaxMem= 17179869184 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "16_3carene_STD_wB97XD-def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Jul 22 20:03:18 2021, MaxMem= 17179869184 cpu:               3.7 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 17179869184 LenX= 17179619262 LenY= 17179497717
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -390.293360296183    
 DIIS: error= 3.29D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -390.293360296183     IErMin= 1 ErrMin= 3.29D-03
 ErrMax= 3.29D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.72D-03 BMatP= 8.72D-03
 IDIUse=3 WtCom= 9.67D-01 WtEn= 3.29D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.405 Goal=   None    Shift=    0.000
 GapD=    0.405 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=8.35D-03 MaxDP=3.16D-01              OVMax= 1.31D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  7.79D-03    CP:  1.15D+00
 E= -390.300765425057     Delta-E=       -0.007405128875 Rises=F Damp=F
 DIIS: error= 5.15D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -390.300765425057     IErMin= 2 ErrMin= 5.15D-04
 ErrMax= 5.15D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.40D-04 BMatP= 8.72D-03
 IDIUse=3 WtCom= 9.95D-01 WtEn= 5.15D-03
 Coeff-Com: -0.561D-01 0.106D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.558D-01 0.106D+01
 Gap=     0.392 Goal=   None    Shift=    0.000
 RMSDP=1.22D-03 MaxDP=5.17D-02 DE=-7.41D-03 OVMax= 5.21D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  4.74D-04    CP:  1.17D+00  1.13D+00
 E= -390.301012838607     Delta-E=       -0.000247413550 Rises=F Damp=F
 DIIS: error= 1.93D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -390.301012838607     IErMin= 3 ErrMin= 1.93D-04
 ErrMax= 1.93D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.30D-05 BMatP= 1.40D-04
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.93D-03
 Coeff-Com: -0.359D-01 0.353D+00 0.682D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.359D-01 0.353D+00 0.683D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=8.03D-05 MaxDP=2.31D-03 DE=-2.47D-04 OVMax= 9.40D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  7.40D-05    CP:  1.17D+00  1.13D+00  1.04D+00
 E= -390.301055993157     Delta-E=       -0.000043154549 Rises=F Damp=F
 DIIS: error= 6.82D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -390.301055993157     IErMin= 4 ErrMin= 6.82D-05
 ErrMax= 6.82D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.49D-06 BMatP= 4.30D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.262D-02-0.269D-01 0.140D+00 0.889D+00
 Coeff:     -0.262D-02-0.269D-01 0.140D+00 0.889D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=5.20D-05 MaxDP=2.11D-03 DE=-4.32D-05 OVMax= 5.72D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.91D-05    CP:  1.17D+00  1.13D+00  1.08D+00  8.28D-01
 E= -390.301059274560     Delta-E=       -0.000003281403 Rises=F Damp=F
 DIIS: error= 1.72D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -390.301059274560     IErMin= 5 ErrMin= 1.72D-05
 ErrMax= 1.72D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.55D-07 BMatP= 2.49D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.126D-02-0.303D-01-0.137D-02 0.307D+00 0.724D+00
 Coeff:      0.126D-02-0.303D-01-0.137D-02 0.307D+00 0.724D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=1.08D-05 MaxDP=3.84D-04 DE=-3.28D-06 OVMax= 1.75D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  6.98D-06    CP:  1.17D+00  1.13D+00  1.09D+00  8.71D-01  8.29D-01
 E= -390.301059637009     Delta-E=       -0.000000362450 Rises=F Damp=F
 DIIS: error= 3.89D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -390.301059637009     IErMin= 6 ErrMin= 3.89D-06
 ErrMax= 3.89D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.15D-08 BMatP= 3.55D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.603D-03-0.928D-02-0.960D-02 0.565D-01 0.249D+00 0.713D+00
 Coeff:      0.603D-03-0.928D-02-0.960D-02 0.565D-01 0.249D+00 0.713D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=2.50D-06 MaxDP=8.96D-05 DE=-3.62D-07 OVMax= 4.59D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.63D-06    CP:  1.17D+00  1.13D+00  1.09D+00  8.72D-01  8.44D-01
                    CP:  1.08D+00
 E= -390.301059659856     Delta-E=       -0.000000022847 Rises=F Damp=F
 DIIS: error= 1.54D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -390.301059659856     IErMin= 7 ErrMin= 1.54D-06
 ErrMax= 1.54D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.17D-09 BMatP= 2.15D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.465D-04 0.202D-03-0.232D-02-0.102D-01 0.221D-02 0.161D+00
 Coeff-Com:  0.849D+00
 Coeff:      0.465D-04 0.202D-03-0.232D-02-0.102D-01 0.221D-02 0.161D+00
 Coeff:      0.849D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=9.83D-07 MaxDP=2.87D-05 DE=-2.28D-08 OVMax= 2.77D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  5.92D-07    CP:  1.17D+00  1.13D+00  1.09D+00  8.70D-01  8.52D-01
                    CP:  1.14D+00  1.08D+00
 E= -390.301059661592     Delta-E=       -0.000000001735 Rises=F Damp=F
 DIIS: error= 6.43D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -390.301059661592     IErMin= 8 ErrMin= 6.43D-07
 ErrMax= 6.43D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.52D-10 BMatP= 1.17D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.487D-04 0.119D-02 0.259D-04-0.114D-01-0.280D-01-0.153D-01
 Coeff-Com:  0.389D+00 0.664D+00
 Coeff:     -0.487D-04 0.119D-02 0.259D-04-0.114D-01-0.280D-01-0.153D-01
 Coeff:      0.389D+00 0.664D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=2.98D-07 MaxDP=7.94D-06 DE=-1.74D-09 OVMax= 7.49D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.04D-07    CP:  1.17D+00  1.13D+00  1.09D+00  8.69D-01  8.52D-01
                    CP:  1.16D+00  1.14D+00  1.07D+00
 E= -390.301059662009     Delta-E=       -0.000000000418 Rises=F Damp=F
 DIIS: error= 9.51D-08 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -390.301059662009     IErMin= 9 ErrMin= 9.51D-08
 ErrMax= 9.51D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.19D-11 BMatP= 3.52D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.170D-04 0.293D-03 0.186D-03-0.210D-02-0.701D-02-0.205D-01
 Coeff-Com:  0.248D-01 0.161D+00 0.843D+00
 Coeff:     -0.170D-04 0.293D-03 0.186D-03-0.210D-02-0.701D-02-0.205D-01
 Coeff:      0.248D-01 0.161D+00 0.843D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=9.48D-08 MaxDP=4.16D-06 DE=-4.18D-10 OVMax= 2.72D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  6.14D-08    CP:  1.17D+00  1.13D+00  1.09D+00  8.69D-01  8.51D-01
                    CP:  1.16D+00  1.16D+00  1.13D+00  1.15D+00
 E= -390.301059662016     Delta-E=       -0.000000000007 Rises=F Damp=F
 DIIS: error= 2.93D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -390.301059662016     IErMin=10 ErrMin= 2.93D-08
 ErrMax= 2.93D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.01D-12 BMatP= 1.19D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.281D-07-0.297D-04 0.316D-04 0.434D-03 0.950D-03-0.318D-02
 Coeff-Com: -0.247D-01-0.275D-01 0.176D+00 0.878D+00
 Coeff:      0.281D-07-0.297D-04 0.316D-04 0.434D-03 0.950D-03-0.318D-02
 Coeff:     -0.247D-01-0.275D-01 0.176D+00 0.878D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=3.73D-08 MaxDP=1.88D-06 DE=-7.05D-12 OVMax= 6.54D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.88D-08    CP:  1.17D+00  1.13D+00  1.09D+00  8.69D-01  8.52D-01
                    CP:  1.16D+00  1.16D+00  1.15D+00  1.22D+00  1.10D+00
 E= -390.301059661982     Delta-E=        0.000000000035 Rises=F Damp=F
 DIIS: error= 8.02D-09 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -390.301059662016     IErMin=11 ErrMin= 8.02D-09
 ErrMax= 8.02D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.89D-14 BMatP= 1.01D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.138D-05-0.327D-04-0.520D-05 0.295D-03 0.893D-03 0.715D-03
 Coeff-Com: -0.830D-02-0.228D-01-0.112D-01 0.250D+00 0.790D+00
 Coeff:      0.138D-05-0.327D-04-0.520D-05 0.295D-03 0.893D-03 0.715D-03
 Coeff:     -0.830D-02-0.228D-01-0.112D-01 0.250D+00 0.790D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=9.68D-09 MaxDP=4.48D-07 DE= 3.46D-11 OVMax= 1.90D-07

 SCF Done:  E(RwB97XD) =  -390.301059662     A.U. after   11 cycles
            NFock= 11  Conv=0.97D-08     -V/T= 2.0128
 KE= 3.853669590007D+02 PE=-2.003772347004D+03 EE= 6.765920661957D+02
 Leave Link  502 at Thu Jul 22 20:04:33 2021, MaxMem= 17179869184 cpu:             902.0 elap:              75.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   328
 NBasis=   328 NAE=    38 NBE=    38 NFC=     0 NFV=     0
 NROrb=    328 NOA=    38 NOB=    38 NVA=   290 NVB=   290

 **** Warning!!: The largest alpha MO coefficient is  0.56538891D+02

 Leave Link  801 at Thu Jul 22 20:04:33 2021, MaxMem= 17179869184 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         7861 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   17179869184 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          26
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.84D-13 8.33D-09 XBig12= 1.00D+00 4.27D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.84D-13 8.33D-09 XBig12= 1.61D-01 6.45D-02.
     11 vectors produced by pass  2 Test12= 1.84D-13 8.33D-09 XBig12= 3.46D-02 6.11D-02.
     11 vectors produced by pass  3 Test12= 1.84D-13 8.33D-09 XBig12= 1.88D-03 1.05D-02.
     11 vectors produced by pass  4 Test12= 1.84D-13 8.33D-09 XBig12= 9.76D-05 1.78D-03.
     11 vectors produced by pass  5 Test12= 1.84D-13 8.33D-09 XBig12= 5.60D-06 4.02D-04.
     11 vectors produced by pass  6 Test12= 1.84D-13 8.33D-09 XBig12= 2.31D-07 7.61D-05.
     11 vectors produced by pass  7 Test12= 1.84D-13 8.33D-09 XBig12= 5.08D-09 9.47D-06.
     11 vectors produced by pass  8 Test12= 1.84D-13 8.33D-09 XBig12= 1.05D-10 1.42D-06.
     10 vectors produced by pass  9 Test12= 1.84D-13 8.33D-09 XBig12= 1.82D-12 2.18D-07.
      8 vectors produced by pass 10 Test12= 1.84D-13 8.33D-09 XBig12= 3.31D-14 2.62D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 4.97D-14
 Solved reduced A of dimension   117 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.128316D+03
      2  0.423215D+01  0.118357D+03
      3  0.613290D+00  0.240675D+01  0.993004D+02
 Isotropic polarizability for W=    0.085645      115.32 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.188403D+02 -0.496414D+02  0.756722D+01
      2   0.715949D+00  0.484934D+02 -0.124827D+02
      3   0.181244D+02  0.114799D+01  0.491545D+01
      4  -0.429142D+02 -0.482909D+02 -0.214944D+02
      5   0.211797D+02 -0.193757D+02  0.322308D+02
      6  -0.100482D+02  0.474919D+01 -0.193462D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.942897D+00  0.137959D+00  0.304318D+01
      2   0.826607D+01 -0.787368D+01  0.994764D+01
      3   0.178394D+02  0.286316D+02  0.653780D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.211875D+01  0.172319D+02  0.204942D+02
      2  -0.136125D+02 -0.114462D+02  0.141064D+02
      3   0.672721D+01  0.490069D+02  0.932743D+01
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.138255D+00 -0.164858D+01 -0.181797D+01
      2  -0.164858D+01  0.878803D+00 -0.175566D+01
      3  -0.181797D+01 -0.175566D+01 -0.113354D+01
 OR G Eigenvalues:    -3.7610     1.1996     2.1685  Iso=     0.1310
 Eigenvectors:
   (1)   0.556487   0.459625   0.692147
   (2)   0.696852   0.195461  -0.690067
   (3)  -0.452459   0.866337  -0.211520
 w=    0.085645 a.u., Optical Rotation Beta=      0.1310 au.
 Molar Mass =    136.2364 grams/mole, [Alpha] ( 5320.0 A) =       45.60 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   53956 ScalPx= 2.35D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   53956 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 7.98D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 3.06D-14 2.78D-09 XBig12= 1.00D+00 2.78D-01.
     30 vectors produced by pass  1 Test12= 3.06D-14 2.78D-09 XBig12= 7.95D-02 3.01D-02.
     30 vectors produced by pass  2 Test12= 3.06D-14 2.78D-09 XBig12= 2.86D-03 8.79D-03.
     30 vectors produced by pass  3 Test12= 3.06D-14 2.78D-09 XBig12= 4.17D-05 1.24D-03.
     30 vectors produced by pass  4 Test12= 3.06D-14 2.78D-09 XBig12= 7.78D-07 1.73D-04.
     30 vectors produced by pass  5 Test12= 3.06D-14 2.78D-09 XBig12= 9.20D-09 1.83D-05.
     30 vectors produced by pass  6 Test12= 3.06D-14 2.78D-09 XBig12= 9.21D-11 1.27D-06.
     30 vectors produced by pass  7 Test12= 3.06D-14 2.78D-09 XBig12= 7.51D-13 9.92D-08.
     10 vectors produced by pass  8 Test12= 3.06D-14 2.78D-09 XBig12= 6.81D-15 7.68D-09.
      7 vectors produced by pass  9 Test12= 3.06D-14 2.78D-09 XBig12= 4.38D-15 6.57D-09.
      4 vectors produced by pass 10 Test12= 3.06D-14 2.78D-09 XBig12= 3.00D-15 5.30D-09.
      4 vectors produced by pass 11 Test12= 3.06D-14 2.78D-09 XBig12= 6.95D-15 6.92D-09.
      1 vectors produced by pass 12 Test12= 3.06D-14 2.78D-09 XBig12= 1.13D-15 3.61D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.00D-15
 Solved reduced A of dimension   266 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   53956 ScalPx= 9.53D+02
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   53956 ScalPx= 9.53D+02
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   53956 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 9.76D+02
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.128316D+03  0.423215D+01  0.613290D+00
      2   0.423215D+01  0.118357D+03  0.240675D+01
      3   0.613290D+00  0.240675D+01  0.993004D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.942897D+00  0.137959D+00  0.304318D+01
      2   0.826607D+01 -0.787368D+01  0.994764D+01
      3   0.178394D+02  0.286316D+02  0.653780D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.188403D+02 -0.496414D+02  0.756722D+01
      2   0.715949D+00  0.484934D+02 -0.124827D+02
      3   0.181244D+02  0.114799D+01  0.491545D+01
      4  -0.429142D+02 -0.482909D+02 -0.214944D+02
      5   0.211797D+02 -0.193757D+02  0.322308D+02
      6  -0.100482D+02  0.474919D+01 -0.193462D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    78 ND12= 1 LenFil=    2811:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.255297D+01 -0.591752D+00 -0.192128D+01  0.293767D+00 -0.197262D+01
      2  -0.591752D+00 -0.296300D+00 -0.130589D+01 -0.197262D+01 -0.460108D+01
      3  -0.192128D+01 -0.130589D+01 -0.408449D+01  0.211627D-01 -0.240245D+00
                 6             7             8             9            10 
      1   0.211627D-01 -0.357249D+01 -0.224949D+01 -0.402923D+01 -0.191833D+01
      2  -0.240245D+00 -0.224949D+01  0.183385D+01  0.816653D+00  0.123479D+01
      3   0.140767D+01 -0.402923D+01  0.816653D+00 -0.370039D-01 -0.189325D+00
                11            12            13            14            15 
      1   0.123479D+01 -0.189325D+00  0.325327D+00 -0.175430D+01  0.123082D+01
      2  -0.932974D+00  0.306568D+01 -0.175430D+01  0.545248D+01  0.406181D+00
      3   0.306568D+01 -0.249894D+01  0.123082D+01  0.406181D+00  0.501307D+00
                16            17            18            19            20 
      1  -0.548841D+00  0.456181D+01 -0.221435D+01 -0.712767D-01 -0.112477D+01
      2   0.456181D+01  0.617471D+00  0.129218D+01 -0.112477D+01 -0.977587D+00
      3  -0.221435D+01  0.129218D+01 -0.623942D-01  0.547707D+00  0.127405D+01
                21            22            23            24            25 
      1   0.547707D+00 -0.109463D+01  0.276142D+00  0.104280D+01  0.100947D+01
      2   0.127405D+01  0.276142D+00  0.914961D+01 -0.265616D+00  0.110904D+01
      3   0.176980D+01  0.104280D+01 -0.265616D+00  0.237220D+01  0.299883D+01
                26            27            28            29            30 
      1   0.110904D+01  0.299883D+01 -0.509792D+01 -0.279336D+01 -0.569865D+00
      2  -0.845797D+00  0.455883D+01 -0.279336D+01 -0.319569D+01 -0.101219D+01
      3   0.455883D+01  0.345243D+01 -0.569865D+00 -0.101219D+01 -0.106070D+01
                31            32            33            34            35 
      1  -0.336041D+01 -0.591204D+01 -0.177762D+01 -0.123028D+01 -0.168337D+01
      2  -0.591204D+01 -0.174725D+02 -0.845845D+00 -0.168337D+01 -0.129650D+01
      3  -0.177762D+01 -0.845845D+00 -0.300595D+01 -0.269275D+01 -0.333154D+01
                36            37            38            39            40 
      1  -0.269275D+01  0.276850D+01  0.574968D+00  0.895480D+00 -0.394415D+00
      2  -0.333154D+01  0.574968D+00  0.404592D+01  0.258237D+01  0.571554D+01
      3  -0.158096D+01  0.895480D+00  0.258237D+01  0.189602D+01  0.209189D+01
                41            42            43            44            45 
      1   0.571554D+01  0.209189D+01  0.128683D+01  0.239661D+01  0.392704D+01
      2   0.481002D+01 -0.284973D+01  0.239661D+01 -0.316143D+01  0.403688D+01
      3  -0.284973D+01  0.235125D+01  0.392704D+01  0.403688D+01  0.127545D+01
                46            47            48            49            50 
      1   0.467338D+01  0.223307D+01 -0.437229D+00  0.360227D+01  0.674244D+01
      2   0.223307D+01  0.644984D+01  0.278658D+01  0.674244D+01  0.148112D+02
      3  -0.437229D+00  0.278658D+01  0.150906D+01  0.240850D+01 -0.640816D+00
                51            52            53            54            55 
      1   0.240850D+01 -0.284684D-01  0.342537D+01  0.187866D+01 -0.143196D+01
      2  -0.640816D+00  0.342537D+01 -0.137150D+01  0.387104D+01 -0.118553D+01
      3   0.237768D+01  0.187866D+01  0.387104D+01  0.205215D+01 -0.599781D+00
                56            57            58            59            60 
      1  -0.118553D+01 -0.599781D+00 -0.128601D+01 -0.353615D+01 -0.141320D+01
      2  -0.346527D+01 -0.230777D+01 -0.353615D+01 -0.828672D+01  0.111027D+01
      3  -0.230777D+01 -0.763040D+00 -0.141320D+01  0.111027D+01 -0.260206D+01
                61            62            63            64            65 
      1  -0.731500D+00 -0.212100D+01 -0.135854D+01  0.272365D+01  0.369886D-01
      2  -0.212100D+01  0.143666D+01 -0.537048D+01  0.369886D-01  0.983760D+00
      3  -0.135854D+01 -0.537048D+01 -0.177182D+01  0.372880D+01 -0.659422D+00
                66            67            68            69            70 
      1   0.372880D+01  0.234049D+00  0.480889D+01 -0.584631D-01  0.627463D+01
      2  -0.659422D+00  0.480889D+01 -0.376759D+01  0.264365D+01 -0.789906D+00
      3   0.389267D+01 -0.584631D-01  0.264365D+01  0.299514D+00  0.454644D+01
                71            72            73            74            75 
      1  -0.789906D+00  0.454644D+01  0.179865D+01 -0.125706D+01 -0.141866D+01
      2   0.167125D+01  0.392024D-01 -0.125706D+01  0.830339D+00  0.888398D+00
      3   0.392024D-01 -0.610780D-01 -0.141866D+01  0.888398D+00  0.248468D+01
                76            77            78            79            80 
      1  -0.128010D+01  0.519032D+00  0.488573D+00 -0.180509D+01  0.910118D+00
      2   0.519032D+00 -0.159165D+01 -0.196507D+01  0.910118D+00 -0.217487D+01
      3   0.488573D+00 -0.196507D+01 -0.263698D+01  0.198971D+01 -0.270447D+01
                81            82            83            84            85 
      1   0.198971D+01  0.355437D+01  0.168237D+01 -0.175788D+01  0.157602D+01
      2  -0.270447D+01  0.168237D+01  0.181012D+01 -0.171116D+01  0.125215D+01
      3  -0.603514D+01 -0.175788D+01 -0.171116D+01  0.236716D+01 -0.124937D+01
                86            87            88            89            90 
      1   0.125215D+01 -0.124937D+01 -0.232525D+01 -0.170718D+01  0.211657D+01
      2   0.316119D+01 -0.194330D+01 -0.170718D+01 -0.216165D+01  0.200730D+01
      3  -0.194330D+01  0.167685D+01  0.211657D+01  0.200730D+01 -0.324157D+01
                91            92            93            94            95 
      1  -0.429918D+01 -0.181480D+01 -0.208949D+01 -0.246222D+01 -0.276116D+01
      2  -0.181480D+01 -0.148066D+01 -0.113140D+01 -0.276116D+01 -0.295154D+01
      3  -0.208949D+01 -0.113140D+01 -0.180904D+01 -0.111220D+01 -0.105150D+01
                96            97            98            99           100 
      1  -0.111220D+01 -0.504464D+01 -0.267131D+01 -0.314773D+01 -0.562186D+01
      2  -0.105150D+01 -0.267131D+01 -0.223247D+01 -0.256610D+01  0.183772D+01
      3  -0.163282D+01 -0.314773D+01 -0.256610D+01 -0.426428D+01  0.147253D+01
               101           102           103           104           105 
      1   0.183772D+01  0.147253D+01  0.469001D+01 -0.193411D+01 -0.138075D+01
      2  -0.130698D+01 -0.660192D+00 -0.193411D+01  0.189900D+01  0.915906D+00
      3  -0.660192D+00 -0.132058D+01 -0.138075D+01  0.915906D+00  0.104407D+01
               106           107           108           109           110 
      1   0.237452D+01 -0.828596D+00 -0.187853D+01 -0.370096D+00 -0.762784D+00
      2  -0.828596D+00  0.927533D+00  0.388729D+00 -0.762784D+00  0.138889D-01
      3  -0.187853D+01  0.388729D+00  0.133845D+01  0.422769D+00 -0.262054D+00
               111           112           113           114           115 
      1   0.422769D+00 -0.293809D+01 -0.292099D+01  0.772300D+00  0.183264D+01
      2  -0.262054D+00 -0.292099D+01 -0.662843D+01  0.299513D+01  0.106458D+01
      3  -0.208548D+00  0.772300D+00  0.299513D+01 -0.246132D+01 -0.168023D+01
               116           117           118           119           120 
      1   0.106458D+01 -0.168023D+01  0.170590D+01  0.129171D+01  0.120606D+01
      2   0.366636D+01 -0.312050D+01  0.129171D+01  0.187171D+01  0.120625D+01
      3  -0.312050D+01  0.285279D+01  0.120606D+01  0.120625D+01  0.110750D+01
               121           122           123           124           125 
      1   0.131068D+01  0.170159D+01  0.663582D+00  0.256773D+01  0.148013D+01
      2   0.170159D+01  0.565378D+01  0.209095D+01  0.148013D+01  0.456045D+01
      3   0.663582D+00  0.209095D+01  0.191321D+01  0.130421D+01  0.403398D+01
               126           127           128           129           130 
      1   0.130421D+01 -0.390906D+00  0.110599D+01 -0.621675D+00  0.178509D+01
      2   0.403398D+01  0.110599D+01 -0.923392D+00  0.639894D+00  0.604976D+00
      3   0.425713D+01 -0.621675D+00  0.639894D+00 -0.121725D+00  0.187841D+00
               131           132           133           134           135 
      1   0.604976D+00  0.187841D+00 -0.141578D+01  0.262824D+00  0.242849D+00
      2   0.999947D+01 -0.322486D+01  0.262824D+00 -0.502847D+01  0.358212D+01
      3  -0.322486D+01  0.207886D+01  0.242849D+00  0.358212D+01 -0.228296D+01
               136           137           138           139           140 
      1   0.529477D+01 -0.191315D+01 -0.212720D+01 -0.210865D+01 -0.288955D+01
      2  -0.191315D+01 -0.177954D+01 -0.675437D+00 -0.288955D+01  0.446598D+01
      3  -0.212720D+01 -0.675437D+00 -0.281494D+01 -0.749510D+00 -0.440635D+01
               141           142           143           144           145 
      1  -0.749510D+00 -0.309256D+01 -0.307109D+00 -0.312083D+01 -0.541627D-01
      2  -0.440635D+01 -0.307109D+00 -0.314311D+01 -0.112733D+01 -0.155783D+01
      3  -0.151931D+01 -0.312083D+01 -0.112733D+01  0.223305D+00 -0.260458D+01
               146           147           148           149           150 
      1  -0.155783D+01 -0.260458D+01 -0.194800D+01 -0.502221D+01 -0.624916D+00
      2  -0.296720D+01 -0.423578D+00 -0.502221D+01  0.481940D+01 -0.234199D+01
      3  -0.423578D+00 -0.242727D+01 -0.624916D+00 -0.234199D+01 -0.170452D+01
               151           152           153           154           155 
      1  -0.294466D+01 -0.617630D+00 -0.344092D+01 -0.642967D+01  0.718940D+00
      2  -0.617630D+00 -0.251015D+01 -0.156188D+01  0.718940D+00 -0.649330D+00
      3  -0.344092D+01 -0.156188D+01  0.489823D+01  0.100065D+01  0.209444D+00
               156           157           158           159           160 
      1   0.100065D+01  0.712892D+00 -0.102068D-02 -0.171310D+00  0.156659D+01
      2   0.209444D+00 -0.102068D-02 -0.389971D+00  0.853994D+00 -0.258161D+00
      3  -0.238371D+01 -0.171310D+00  0.853994D+00  0.424783D+00 -0.101492D+01
               161           162           163           164           165 
      1  -0.258161D+00 -0.101492D+01  0.237405D+01  0.120476D+01  0.242135D+01
      2   0.646252D+00  0.116948D+00  0.120476D+01  0.122644D+01  0.908572D+00
      3   0.116948D+00  0.854995D+00  0.242135D+01  0.908572D+00  0.334674D+01
               166           167           168           169           170 
      1   0.199382D+01  0.142714D+01  0.154875D+01  0.188947D+01  0.769982D+00
      2   0.142714D+01  0.149378D+01  0.219959D+01  0.769982D+00  0.147143D+01
      3   0.154875D+01  0.219959D+01  0.350569D+01  0.242954D+01  0.168196D+01
               171           172           173           174           175 
      1   0.242954D+01  0.575878D+00 -0.100316D+01  0.101297D+01 -0.149160D+01
      2   0.168196D+01 -0.100316D+01  0.120639D+01 -0.453645D+00  0.179553D+01
      3   0.490618D+01  0.101297D+01 -0.453645D+00  0.113008D+01 -0.818655D+00
               176           177           178           179           180 
      1   0.179553D+01 -0.818655D+00  0.589639D+00 -0.318888D+00  0.857566D+00
      2  -0.653396D+01  0.359960D+01 -0.318888D+00  0.182281D+01 -0.160675D+01
      3   0.359960D+01 -0.326460D+01  0.857566D+00 -0.160675D+01  0.199157D+01
               181           182           183           184           185 
      1   0.129232D+01  0.340483D+00 -0.136617D+01  0.795310D+00  0.873337D+00
      2   0.340483D+00  0.479971D+00  0.872785D-02  0.873337D+00 -0.154461D+00
      3  -0.136617D+01  0.872785D-02  0.151156D+01 -0.199881D+00 -0.549664D+00
               186           187           188           189           190 
      1  -0.199881D+00 -0.327185D+01  0.108889D+00  0.302001D+01  0.221583D+01
      2  -0.549664D+00  0.108889D+00 -0.870478D+00  0.484864D+00 -0.164205D+01
      3   0.848550D+00  0.302001D+01  0.484864D+00 -0.666212D+01  0.604861D+00
               191           192           193           194           195 
      1  -0.164205D+01  0.604861D+00 -0.421891D+01  0.419076D+01 -0.405143D+00
      2   0.171654D+01 -0.222914D+00  0.419076D+01 -0.721254D+01  0.121053D+01
      3  -0.222914D+00  0.436679D+00 -0.405143D+00  0.121053D+01 -0.121079D+01
               196           197           198           199           200 
      1   0.148878D+01 -0.632455D+00  0.112296D+01  0.588891D+01  0.184919D+01
      2  -0.632455D+00  0.135164D+01 -0.925826D+00  0.184919D+01  0.154364D+01
      3   0.112296D+01 -0.925826D+00  0.371260D+00  0.202854D+01  0.735685D+00
               201           202           203           204           205 
      1   0.202854D+01  0.451075D+01  0.256079D+01  0.127286D+01  0.415511D+01
      2   0.735685D+00  0.256079D+01  0.175875D+01  0.129986D+01  0.971862D+00
      3   0.151967D+01  0.127286D+01  0.129986D+01  0.159846D+01  0.234216D+01
               206           207           208           209           210 
      1   0.971862D+00  0.234216D+01  0.144533D+00 -0.898996D+00  0.413451D+00
      2   0.144214D+01  0.106477D+01 -0.898996D+00  0.496035D-02 -0.332172D+00
      3   0.106477D+01  0.177422D+01  0.413451D+00 -0.332172D+00 -0.166389D+00
               211           212           213           214           215 
      1  -0.163691D+01 -0.504612D+00  0.596003D-01  0.154554D+01  0.143896D+00
      2  -0.504612D+00 -0.890417D+01  0.147330D+01  0.143896D+00  0.405787D+01
      3   0.596003D-01  0.147330D+01 -0.138157D+01 -0.538312D+00 -0.234094D+01
               216           217           218           219           220 
      1  -0.538312D+00 -0.190668D+01 -0.917409D+00 -0.174885D+01 -0.608546D+00
      2  -0.234094D+01 -0.917409D+00 -0.168986D+01 -0.165640D+01 -0.987254D+00
      3   0.972118D+00 -0.174885D+01 -0.165640D+01 -0.198733D+01 -0.799470D+00
               221           222           223           224           225 
      1  -0.987254D+00 -0.799470D+00 -0.262011D+01 -0.132623D+01 -0.211519D+01
      2  -0.368948D+01 -0.215352D+01 -0.132623D+01 -0.299662D+01 -0.401284D+01
      3  -0.215352D+01 -0.215338D+01 -0.211519D+01 -0.401284D+01 -0.625526D+01
               226           227           228           229           230 
      1  -0.486572D+01  0.335167D+01  0.169681D+01  0.299851D+01 -0.227229D+01
      2   0.335167D+01 -0.251874D+01 -0.149143D+01 -0.227229D+01  0.470945D+01
      3   0.169681D+01 -0.149143D+01 -0.132493D+01 -0.102819D+01  0.167954D+01
               231           232           233           234 
      1  -0.102819D+01  0.205057D+01 -0.169379D+01 -0.154504D+01
      2   0.167954D+01 -0.169379D+01  0.228733D+01  0.693185D+00
      3   0.117323D+01 -0.154504D+01  0.693185D+00  0.103430D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.852045D+00  0.699602D+00 -0.101832D+01  0.982645D+00  0.979246D+01
      2  -0.336689D+01 -0.204990D+00 -0.333983D+01 -0.109962D+00 -0.426377D+01
      3   0.360849D+00 -0.331464D+01  0.190816D+01  0.757163D+01  0.915859D+01
                 6             7             8             9            10 
      1  -0.127782D+01  0.158706D+01  0.209559D+01  0.545268D+00 -0.119574D+01
      2   0.864004D-01 -0.131096D+02 -0.330345D+01 -0.590155D+01 -0.207667D+01
      3   0.334087D+01  0.593419D+01 -0.536930D+00  0.410047D+01 -0.142601D+01
                11            12            13            14            15 
      1  -0.354497D+01 -0.643924D+00 -0.206313D+01 -0.921197D+01 -0.425508D+01
      2   0.433112D+01 -0.113202D+01  0.230621D+01  0.570607D+00  0.171880D+01
      3  -0.532296D+01 -0.364934D+01  0.733869D+01 -0.126122D+02  0.241488D+01
                16            17            18            19            20 
      1  -0.436313D+01  0.202859D+01 -0.220880D+01  0.165120D+01  0.359556D+01
      2  -0.646826D+01  0.669269D+01 -0.751172D+00 -0.240326D+01 -0.921350D+00
      3  -0.724740D+01  0.313715D+01 -0.529935D+01 -0.986869D+00 -0.420749D+01
                21            22            23            24            25 
      1   0.221554D+01  0.218500D+01 -0.952886D+01  0.425907D+01  0.417832D+01
      2   0.417733D+00 -0.189450D+01 -0.626653D+00 -0.341883D+01 -0.598297D+01
      3   0.383242D+00  0.440643D+01  0.133711D+02 -0.103248D+01  0.183713D+01
                26            27            28            29            30 
      1   0.165926D+02  0.360953D+01 -0.370599D-02 -0.411566D+00  0.275385D+00
      2  -0.431264D+01 -0.186314D+01 -0.204840D+00  0.596195D+01  0.314662D+01
      3  -0.301455D+01  0.291060D+01 -0.118379D+02 -0.189216D+02 -0.505050D+01
                31            32            33            34            35 
      1  -0.145182D+00 -0.363656D+01 -0.663054D-01  0.142502D+01  0.110766D+02
      2   0.673543D+01  0.372014D+01  0.814541D+01 -0.242075D+01  0.752489D+01
      3  -0.141516D+02 -0.427502D+02 -0.282618D+01 -0.720202D+01 -0.360677D+01
                36            37            38            39            40 
      1   0.224969D+01  0.141331D+01  0.431364D+01  0.362146D+01  0.350806D+01
      2   0.571276D+01 -0.452800D+01 -0.108995D+02 -0.480399D+01 -0.753270D+01
      3  -0.850823D+01 -0.261774D+01  0.116170D+02  0.879542D+01  0.245343D+02
                41            42            43            44            45 
      1  -0.276149D+01  0.132845D+01  0.789179D+01  0.842658D+01  0.246156D+01
      2   0.966701D+01 -0.912165D+01 -0.191130D+02 -0.186490D+02 -0.576140D+01
      3   0.138482D+02 -0.128124D+02  0.662941D+01 -0.152607D+02  0.114468D+02
                46            47            48            49            50 
      1   0.324767D-01 -0.230639D+01 -0.133398D+01 -0.131329D+01  0.504291D+01
      2  -0.177485D+01 -0.486066D+01 -0.299541D+01 -0.343307D+01 -0.106665D+01
      3   0.533911D+01  0.781979D+01  0.447553D+01  0.194803D+02  0.464199D+02
                51            52            53            54            55 
      1  -0.344118D+01  0.593899D+00  0.128999D+01 -0.706510D+00  0.157212D+01
      2  -0.678277D+01 -0.127554D+02 -0.118767D+02 -0.439518D+01 -0.167630D+01
      3   0.280196D+01  0.657943D+01  0.250932D+01  0.105512D+02 -0.412832D+01
                56            57            58            59            60 
      1   0.602021D+01  0.219791D+01  0.327947D+01 -0.476149D+01  0.592423D+01
      2   0.592905D+00  0.172101D+01  0.277225D+00  0.931855D+00  0.670888D-01
      3  -0.893838D+01 -0.295336D+01 -0.211837D+01 -0.128244D+02 -0.253892D+01
                61            62            63            64            65 
      1   0.583450D+01  0.206144D+02  0.614522D+01  0.203537D+01  0.267939D+01
      2  -0.261030D+01 -0.186323D+01  0.925313D+00  0.134065D+02 -0.316855D+01
      3  -0.493238D+01 -0.500663D+01 -0.550380D+01  0.896882D-01 -0.768739D+01
                66            67            68            69            70 
      1   0.169881D+01 -0.405657D+01  0.112582D+01 -0.551468D+01  0.301505D+00
      2   0.138479D+02 -0.180684D+00  0.643526D+01  0.117133D+01  0.344119D+01
      3   0.691787D+00 -0.584816D+01  0.716413D+01 -0.549623D+01 -0.419836D+00
                71            72            73            74            75 
      1   0.545384D+01 -0.489729D+00  0.474287D+00 -0.766634D+00  0.118222D+01
      2   0.881020D+00 -0.155619D+01  0.268097D+01 -0.104637D+01  0.117125D+01
      3  -0.474770D+01 -0.178803D+01 -0.619915D+00 -0.107872D+01  0.435361D+00
                76            77            78            79            80 
      1  -0.106772D+00  0.118979D+01 -0.560369D+00  0.679762D+00  0.330247D+01
      2  -0.195337D+01 -0.984783D+00 -0.181860D+01 -0.377277D+01 -0.598693D+00
      3   0.278367D+01  0.517863D+00  0.129147D+01  0.198593D+01  0.214065D+01
                81            82            83            84            85 
      1  -0.156038D+01  0.108998D+01 -0.352078D+00 -0.185019D+01  0.350768D+00
      2  -0.163857D+01  0.225142D+01 -0.619662D+00  0.264750D+01  0.800665D-01
      3   0.473467D+00  0.359421D+01 -0.184179D+01 -0.233689D+00  0.290318D+01
                86            87            88            89            90 
      1  -0.145567D+01 -0.155038D+01 -0.140408D+01  0.148087D+01  0.286267D+01
      2  -0.958000D+00  0.111423D+01 -0.205460D+01  0.563938D-01 -0.210850D+01
      3  -0.250215D+01  0.829072D+00 -0.174166D+01  0.165601D+01  0.985448D+00
                91            92            93            94            95 
      1  -0.311430D+01 -0.136813D+01 -0.260574D+01 -0.195853D+01 -0.996079D+00
      2   0.734409D+01  0.432750D+01  0.812412D+01  0.413893D+01  0.404009D+01
      3  -0.247312D+01 -0.569304D+01 -0.247232D+01 -0.605530D+01 -0.858660D+01
                96            97            98            99           100 
      1  -0.301143D+01 -0.449254D+01 -0.222377D+01 -0.533127D+01  0.209693D+01
      2   0.666935D+01  0.968726D+01  0.960956D+01  0.164479D+02 -0.380373D+01
      3  -0.255023D+01 -0.356408D+01 -0.618486D+01 -0.638463D+01  0.108291D+02
               101           102           103           104           105 
      1  -0.167472D+01 -0.943222D+00 -0.157679D+01  0.225807D+01 -0.258917D+00
      2   0.206048D+01  0.615768D+01  0.329401D+01 -0.302062D+01 -0.448535D+01
      3  -0.818827D+01 -0.393201D+01 -0.785219D+01  0.998229D+01  0.437488D+01
               106           107           108           109           110 
      1  -0.185525D+01  0.158599D+01  0.723653D+00 -0.192036D+00 -0.795314D+00
      2   0.436506D+01 -0.127664D+01 -0.465010D+01 -0.147824D+01  0.168177D+01
      3  -0.461463D+01  0.514637D+01  0.260046D+01 -0.285841D+01 -0.712277D+00
               111           112           113           114           115 
      1  -0.282853D+00  0.857448D+00  0.780973D+00 -0.384773D+01 -0.228391D+01
      2   0.110642D+01 -0.119684D+01 -0.101239D+02  0.910342D+01  0.337776D+01
      3  -0.115977D+01 -0.559897D+01 -0.215607D+02  0.101056D+02  0.139153D+01
               116           117           118           119           120 
      1  -0.139312D+01  0.295875D+01 -0.405811D+01 -0.305390D+01 -0.363737D+01
      2   0.105625D+02 -0.977261D+01 -0.125900D+01 -0.912432D+00  0.758445D+00
      3   0.133351D+02 -0.965177D+01  0.565103D+01  0.188712D+01  0.346993D+01
               121           122           123           124           125 
      1  -0.114446D+01 -0.473747D+01 -0.612755D+01 -0.355464D+01 -0.863180D+01
      2  -0.534835D+00 -0.981778D+00  0.930010D-01 -0.204414D+01 -0.585340D+00
      3   0.575005D+01  0.622663D+01  0.207060D+01  0.938816D+01  0.470065D+01
               126           127           128           129           130 
      1  -0.123005D+02  0.143901D+01 -0.187851D+01  0.165162D+00  0.279730D+00
      2  -0.886815D+00  0.614371D+00  0.722858D+00  0.956927D+00  0.223671D+00
      3   0.413341D+01 -0.103354D+01  0.951910D+00 -0.119484D+01  0.765877D+01
               131           132           133           134           135 
      1   0.643429D+01 -0.685493D+01 -0.215878D+01 -0.682750D+01  0.585609D+01
      2  -0.762305D+00 -0.139177D+00 -0.174286D+01  0.559697D-01  0.551267D-01
      3   0.503402D+01 -0.256349D+00 -0.434589D+01 -0.389686D+00  0.215793D+01
               136           137           138           139           140 
      1  -0.666127D+01 -0.426017D+01 -0.291479D+01 -0.686840D+01  0.762340D+01
      2  -0.173005D+02  0.301980D+01  0.447531D+01  0.351412D+01 -0.202608D+01
      3   0.116614D+00  0.148343D+01  0.254071D+01  0.845779D+01 -0.590555D+01
               141           142           143           144           145 
      1  -0.137693D+02 -0.236055D+01 -0.661015D+01 -0.313485D+01 -0.138598D+01
      2  -0.669585D+00  0.818253D+00 -0.102647D+01  0.540774D+01 -0.931664D+01
      3   0.743925D+01  0.233959D+01  0.525836D+01  0.337438D+01  0.656974D+01
               146           147           148           149           150 
      1  -0.266802D+00 -0.171607D+01  0.323500D+00 -0.203623D+01 -0.211760D+01
      2  -0.179194D+01 -0.899226D+01 -0.237212D+01 -0.952551D+01 -0.606254D+01
      3   0.115303D+02  0.299190D+01  0.233944D+02 -0.153685D+02  0.893517D+01
               151           152           153           154           155 
      1  -0.256039D+01  0.146519D+01  0.308845D+01  0.323519D+01 -0.248037D+01
      2  -0.175720D+02 -0.495491D+01  0.169483D+02  0.204364D+02 -0.227096D+01
      3   0.349257D+01  0.874667D+01  0.729485D+01  0.297450D+01 -0.130175D+01
               156           157           158           159           160 
      1  -0.461597D+00 -0.124823D+01  0.107945D-01  0.700393D+00 -0.158896D+01
      2  -0.161437D+01 -0.258021D+01  0.702408D+00  0.618682D+00 -0.589868D+01
      3  -0.297761D+00  0.177115D+01  0.266252D+00 -0.565037D+00 -0.220787D+00
               161           162           163           164           165 
      1   0.175602D+01  0.182815D+00  0.366735D+01  0.452417D+01  0.276044D+01
      2   0.110792D+01  0.229084D+01 -0.121416D+01 -0.103498D+01  0.251796D+01
      3   0.304872D-01  0.336673D+00 -0.195590D+01 -0.369100D+01 -0.216227D+01
               166           167           168           169           170 
      1   0.361882D+01  0.533913D+01  0.463230D+01  0.299050D+01  0.591698D+01
      2  -0.297624D+01  0.829582D+00  0.299744D+01 -0.279233D+01  0.687413D+00
      3  -0.123137D+01 -0.343215D+01 -0.374846D+01 -0.135079D+01 -0.328622D+01
               171           172           173           174           175 
      1   0.555441D+01 -0.865814D+00  0.252603D+01  0.606174D+00  0.314936D+01
      2   0.309737D+01  0.760772D+00  0.546376D+00  0.101666D+01  0.297987D+01
      3  -0.344527D+01  0.814031D+00 -0.215190D+01  0.344615D+00  0.128549D+01
               176           177           178           179           180 
      1  -0.126117D+02  0.242301D+01 -0.417917D+00  0.442677D+01 -0.185652D+01
      2   0.269995D+01 -0.415287D+01 -0.141058D+01 -0.141026D+01  0.161765D+01
      3   0.931718D+01 -0.496093D+01 -0.530443D+00 -0.267691D+01  0.197479D+01
               181           182           183           184           185 
      1  -0.858934D+00 -0.534173D+00  0.792958D+00 -0.138096D+00 -0.455667D+00
      2  -0.437381D+01  0.139409D+00  0.608804D+01  0.947475D-01 -0.125248D+01
      3  -0.164276D+01 -0.233150D+01  0.785461D+00 -0.202198D+01 -0.150445D+00
               186           187           188           189           190 
      1  -0.239656D+00  0.128928D+01  0.306221D+01 -0.348909D+01  0.445904D+00
      2   0.310153D+01  0.568830D+01  0.206037D+01 -0.231374D+02  0.220438D+01
      3   0.186371D+01  0.936671D+00  0.407541D+01 -0.314248D+01  0.463522D+01
               191           192           193           194           195 
      1  -0.239343D+00  0.853115D+00 -0.257001D+00  0.124857D+01 -0.361369D+01
      2  -0.108577D+01  0.293606D+01 -0.154595D+01  0.484229D+01 -0.539937D+01
      3  -0.685786D+01  0.552891D+00 -0.925388D+01  0.242655D+02 -0.429585D+01
               196           197           198           199           200 
      1   0.650929D+00  0.137148D+00  0.686178D+00  0.118457D+01  0.796403D+00
      2   0.254180D+01 -0.277375D+01  0.139561D+01  0.734310D+01  0.298677D+01
      3   0.595358D+00 -0.479832D+01  0.232005D+01 -0.942063D+01 -0.842422D+01
               201           202           203           204           205 
      1   0.142662D+00  0.757687D+00  0.103262D+01 -0.782263D+00  0.101628D+01
      2   0.790104D+01  0.432098D+01  0.491102D+01  0.705470D+01  0.649121D+01
      3  -0.387243D+01 -0.915588D+01 -0.836678D+01 -0.535876D+01 -0.477988D+01
               206           207           208           209           210 
      1   0.160460D+01  0.118440D+00  0.225946D+01 -0.893364D+00  0.275038D+00
      2   0.395490D+01  0.703586D+01 -0.742630D+00  0.458355D+00  0.143858D+01
      3  -0.687934D+01 -0.492041D+01 -0.181569D+01  0.234693D+00 -0.147524D+01
               211           212           213           214           215 
      1   0.708034D+00  0.992491D+01 -0.616153D+01 -0.101813D+01 -0.697775D+01
      2  -0.122278D+01 -0.246560D+01  0.155687D+01  0.622095D+00  0.275947D+01
      3   0.548785D+01 -0.105396D+02  0.117413D+01 -0.464867D+01  0.523659D+01
               216           217           218           219           220 
      1   0.491595D+01 -0.215062D+01 -0.154321D+01 -0.262903D+01 -0.303308D+00
      2  -0.199447D+01 -0.512445D+00  0.886452D+00  0.167604D+01 -0.571559D+00
      3  -0.211683D+01  0.277838D+01 -0.270039D+01  0.906809D-01  0.191768D+01
               221           222           223           224           225 
      1   0.485444D+00 -0.292685D+01 -0.142362D+01 -0.266321D+01 -0.755917D+01
      2   0.146508D+01  0.171580D+01 -0.340751D+01  0.314002D+01  0.491502D+01
      3  -0.394743D+01 -0.106602D+01  0.360074D+01 -0.201375D+01 -0.204418D+01
               226           227           228           229           230 
      1  -0.125860D+01  0.121462D+01  0.325022D+01  0.870809D+00 -0.129933D+01
      2  -0.701555D+00  0.230483D+01  0.442546D+01  0.139545D+00 -0.275721D+01
      3  -0.304949D+01 -0.134010D+01 -0.215046D+00  0.270952D+01  0.509061D+01
               231           232           233           234 
      1  -0.254309D+01  0.315691D+01  0.219184D+01 -0.211894D+01
      2  -0.316331D+01  0.195963D+01  0.142261D+01 -0.174055D+01
      3   0.117449D+01  0.887743D+00  0.242955D+01 -0.185555D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.111502D+02 -0.506764D+01 -0.968509D+01 -0.405831D+01 -0.337590D+01
      2   0.755443D+01  0.157103D+01  0.883547D+00  0.354977D-01  0.772775D+01
      3   0.359578D+01  0.349661D+01  0.880154D+01  0.402282D+01 -0.435185D+01
      4   0.171620D+01 -0.122924D+00 -0.194060D+01 -0.261260D+01 -0.378647D+01
      5   0.281596D-01 -0.432815D+01 -0.843377D+01  0.990130D+00  0.536192D-01
      6  -0.168314D+01  0.103134D+01  0.524088D+01  0.288662D+01  0.401125D+01
                 6             7             8             9            10 
      1   0.605756D+01 -0.178749D+02 -0.639805D+00 -0.293888D+01 -0.597286D+01
      2  -0.152045D+01  0.558127D+01  0.255544D+01  0.555703D+01  0.578740D+01
      3  -0.453711D+01  0.122936D+02 -0.191563D+01 -0.261815D+01  0.185455D+00
      4  -0.207888D+00 -0.441162D+01  0.665245D+01  0.762919D+01 -0.350752D+00
      5   0.535601D+01 -0.735756D+01  0.615871D+01  0.802712D+01  0.372154D+01
      6  -0.342164D+01  0.795138D+01 -0.341579D+01 -0.602209D+01  0.456296D+01
                11            12            13            14            15 
      1   0.728951D+01 -0.489215D+01  0.633985D+01 -0.974186D+01  0.396189D+00
      2  -0.576767D+00  0.349635D+01 -0.171334D+01  0.121591D+02  0.121052D+01
      3  -0.671274D+01  0.139579D+01 -0.462651D+01 -0.241721D+01 -0.160671D+01
      4  -0.480801D+01  0.961294D+01 -0.867357D+01  0.762790D+01  0.602585D+01
      5   0.791884D+01 -0.814624D+01  0.253788D+01  0.281951D+01 -0.338927D+01
      6   0.245382D+01 -0.582481D+01  0.604075D+01  0.947171D+00 -0.823704D+00
                16            17            18            19            20 
      1  -0.627269D+01  0.116323D+02 -0.672008D+01  0.107832D+00  0.828372D+01
      2   0.456446D+01 -0.664656D+01  0.666803D+01  0.225397D+01 -0.197907D+01
      3   0.170823D+01 -0.498576D+01  0.520537D-01 -0.236181D+01 -0.630465D+01
      4   0.154049D+02  0.584530D+01 -0.200580D+01  0.333650D+01  0.162777D+01
      5  -0.812086D+01 -0.299975D+01  0.419495D+01 -0.283368D+01 -0.280851D+01
      6  -0.627934D+01 -0.854313D+00  0.333844D+01 -0.630438D+00 -0.509638D+01
                21            22            23            24            25 
      1   0.605776D+01  0.123942D+02  0.191319D+02 -0.371617D+01  0.651539D+01
      2  -0.127365D+01 -0.692241D+01 -0.232061D+02  0.100254D+02 -0.343561D+00
      3  -0.478411D+01 -0.547174D+01  0.407416D+01 -0.630921D+01 -0.617183D+01
      4  -0.501916D+01 -0.215396D+00 -0.167322D+02 -0.508999D+01 -0.572280D+01
      5  -0.670190D+01 -0.371414D+01 -0.463852D+01 -0.875916D+01 -0.874540D+01
      6  -0.696248D+01 -0.363351D+01  0.196184D+01 -0.910065D+01 -0.963966D+01
                26            27            28            29            30 
      1  -0.393727D+01  0.780919D+01  0.184759D+02  0.131293D+02  0.224654D+01
      2   0.192861D+02 -0.127389D+01 -0.135864D+02 -0.734974D+01 -0.293557D+01
      3  -0.153488D+02 -0.653530D+01 -0.488946D+01 -0.577960D+01  0.689032D+00
      4  -0.675316D+01 -0.153354D+02  0.459648D+01  0.193590D+02  0.616723D+01
      5  -0.141219D+02 -0.131618D+02  0.446388D+01  0.462248D+01  0.568735D+01
      6  -0.194478D+02 -0.146292D+02  0.749862D+00 -0.584853D+00 -0.241080D+01
                31            32            33            34            35 
      1   0.128069D+02  0.301772D+02  0.803708D+01  0.774989D+01  0.789067D+01
      2  -0.899728D+01 -0.227004D+02 -0.238514D+01 -0.723041D+01 -0.538946D+01
      3  -0.380960D+01 -0.747675D+01 -0.565195D+01 -0.519479D+00 -0.250120D+01
      4   0.220369D+02  0.518913D+02  0.188195D+01  0.598034D+01  0.295825D+01
      5   0.517200D+01  0.797825D-01  0.916011D+01  0.155798D+02  0.110649D+02
      6  -0.105482D+01  0.315382D+01  0.172304D+01 -0.884584D-01  0.828808D+01
                36            37            38            39            40 
      1   0.793554D+01 -0.165066D+02  0.334765D+01 -0.322150D+01  0.116173D+02
      2  -0.136480D+02  0.131006D+02 -0.317180D+01  0.268327D+00 -0.797507D+01
      3   0.571245D+01  0.340594D+01 -0.175845D+00  0.295318D+01 -0.364219D+01
      4   0.834066D+01  0.582414D+01 -0.213570D+02 -0.185564D+02 -0.329567D+02
      5   0.898670D+01 -0.599790D+01 -0.198013D+02 -0.150883D+02 -0.179683D+02
      6  -0.191585D+01 -0.741399D+01 -0.416554D+01 -0.352043D+01  0.197928D+01
                41            42            43            44            45 
      1  -0.229354D+02 -0.225949D+02 -0.928787D+01 -0.273790D+02 -0.177715D+02
      2   0.110999D+02  0.152578D+02  0.437112D+01  0.190343D+02  0.752609D+01
      3   0.118355D+02  0.733712D+01  0.491676D+01  0.834473D+01  0.102454D+02
      4  -0.246114D+02  0.148690D+02 -0.205868D+02  0.141826D+02 -0.248730D+02
      5   0.187733D+02 -0.169814D+02 -0.313469D+02 -0.289788D+02 -0.104683D+02
      6   0.105697D+02 -0.122800D+02 -0.100374D+02 -0.180714D+02 -0.874911D+00
                46            47            48            49            50 
      1  -0.193795D+02 -0.131286D+02 -0.225533D+01 -0.245286D+02 -0.416298D+02
      2   0.117485D+02  0.135532D+02  0.285377D+01  0.219489D+02  0.392260D+02
      3   0.763096D+01 -0.424662D+00 -0.598435D+00  0.257971D+01  0.240381D+01
      4   0.544395D+01 -0.165298D+02 -0.124514D+02 -0.237038D+02 -0.363892D+02
      5   0.822654D+01 -0.962265D+01 -0.390054D+01 -0.783504D+01  0.629057D+01
      6  -0.610123D+01  0.800307D+01  0.309881D+01  0.728493D+01 -0.965838D+01
                51            52            53            54            55 
      1  -0.416393D+01 -0.362741D+01 -0.857871D+01 -0.162986D+02  0.452070D+01
      2   0.443878D+00  0.394796D+01 -0.428561D+01  0.351596D+01 -0.320167D+01
      3   0.372006D+01 -0.320557D+00  0.128643D+02  0.127826D+02 -0.131903D+01
      4   0.850723D+01 -0.181646D+02  0.139910D+02 -0.105314D+02  0.994196D+00
      5  -0.741044D+01 -0.225568D+01 -0.101182D+02 -0.180340D+01 -0.319065D+01
      6   0.298289D+01  0.497361D+01  0.158141D+02  0.957338D+00 -0.183161D+01
                56            57            58            59            60 
      1   0.942893D+01  0.798403D+01  0.102766D+02  0.389899D+02 -0.444745D+01
      2  -0.108592D+02 -0.986299D+01 -0.114901D+02 -0.412921D+02  0.869101D+01
      3   0.143029D+01  0.187896D+01  0.121354D+01  0.230224D+01 -0.424356D+01
      4   0.310264D+01  0.262139D+00  0.642943D+01  0.332243D+01 -0.102502D+02
      5  -0.249326D+00 -0.265056D+01  0.368136D+00 -0.651694D+01  0.967808D+00
      6  -0.104950D+02 -0.307609D+01 -0.596381D+01  0.120565D+02 -0.169368D+02
                61            62            63            64            65 
      1   0.860142D+01 -0.675414D+01  0.219677D+02 -0.663391D+00  0.311121D+01
      2  -0.811656D+01  0.137981D+02 -0.239880D+02 -0.474649D+01 -0.292054D+01
      3  -0.484856D+00 -0.704391D+01  0.202035D+01  0.540988D+01 -0.190676D+00
      4  -0.125669D+01 -0.138129D+02 -0.217481D+01  0.238548D+01  0.365327D+01
      5  -0.144485D+01 -0.239341D+01 -0.372398D+01  0.110769D+02 -0.100182D+01
      6  -0.867438D+01 -0.345819D+02 -0.694279D+01 -0.204820D+01  0.355885D+01
                66            67            68            69            70 
      1   0.114277D+02  0.507269D+01  0.134360D+02  0.155374D+00  0.202171D+02
      2  -0.870387D+01 -0.297973D+01 -0.907588D+01 -0.141386D+01 -0.137296D+02
      3  -0.272387D+01 -0.209296D+01 -0.436012D+01  0.125849D+01 -0.648746D+01
      4  -0.352456D+01  0.157598D+02 -0.131299D+02  0.711207D+01 -0.526410D+01
      5   0.128021D+02 -0.396122D+00  0.795929D+01  0.178447D+01  0.172429D+02
      6  -0.108310D+01 -0.194790D+00 -0.442567D+01  0.239395D+01 -0.287398D+01
                71            72            73            74            75 
      1  -0.251073D+01  0.144459D+02  0.162450D+01  0.596123D+00  0.334930D+01
      2   0.569852D-01 -0.105021D+02 -0.430630D+01  0.107891D+01  0.373371D+01
      3   0.245374D+01 -0.394381D+01  0.268180D+01 -0.167503D+01 -0.708301D+01
      4   0.458894D+01 -0.153844D+01 -0.639658D+01  0.627301D+01  0.489502D+01
      5   0.457618D+00 -0.196445D+01 -0.802936D+01  0.505931D+01  0.122122D+02
      6   0.359551D+01  0.807174D+00  0.506476D+01 -0.415516D+01 -0.591904D+01
                76            77            78            79            80 
      1   0.280012D+00 -0.840859D+01 -0.844213D+01  0.268135D+01 -0.770246D+01
      2   0.969149D+00  0.324182D+01  0.411116D+00  0.368789D+01 -0.120669D+01
      3  -0.124916D+01  0.516677D+01  0.803102D+01 -0.636924D+01  0.890915D+01
      4   0.431413D+01 -0.454293D+01 -0.530745D+01  0.478980D+01 -0.613529D+01
      5   0.412353D+01 -0.554139D+01 -0.668912D+01  0.953716D+01 -0.740046D+01
      6  -0.303847D+01  0.914818D+01  0.119681D+02 -0.493631D+01  0.121763D+02
                81            82            83            84            85 
      1  -0.175960D+02  0.862227D+01  0.872410D-01  0.120952D+00 -0.701965D+00
      2  -0.950637D+01 -0.618508D+01  0.757489D+00  0.218232D+01  0.921562D+00
      3   0.271023D+02 -0.243719D+01 -0.844730D+00 -0.230327D+01 -0.219597D+00
      4  -0.858412D+01  0.134715D+02  0.123733D+02 -0.946213D+01  0.956531D+01
      5  -0.162694D+02 -0.121637D+02 -0.829768D+01  0.126745D+02 -0.643317D+01
      6   0.174208D+02 -0.821946D+01 -0.764324D+01  0.799927D+01 -0.632215D+01
                86            87            88            89            90 
      1  -0.621127D+01  0.322268D+01 -0.886192D+00  0.260535D+01 -0.528549D+01
      2   0.746632D+01 -0.180175D+01  0.309747D+01 -0.433466D+00 -0.390511D+01
      3  -0.125505D+01 -0.142093D+01 -0.221127D+01 -0.217188D+01  0.919059D+01
      4   0.130850D+02 -0.869715D+01 -0.925292D+01 -0.987071D+01  0.104633D+02
      5  -0.805603D+01  0.652328D+01  0.112684D+02  0.883800D+01 -0.132127D+02
      6  -0.116063D+02  0.105636D+02  0.843944D+01  0.119947D+02 -0.134600D+02
                91            92            93            94            95 
      1   0.329840D+02  0.118159D+02  0.146956D+02  0.138875D+02  0.113632D+02
      2  -0.178478D+02 -0.452713D+01 -0.758035D+01 -0.505904D+01 -0.259489D+01
      3  -0.151362D+02 -0.728874D+01 -0.711525D+01 -0.882842D+01 -0.876835D+01
      4   0.157276D+02  0.134117D+02  0.101176D+02  0.208046D+02  0.204749D+02
      5   0.187272D+02  0.100540D+02  0.172217D+02  0.985842D+01  0.842664D+01
      6   0.588875D+01  0.315275D+01  0.430653D+01  0.391740D+01  0.388728D+01
                96            97            98            99           100 
      1   0.638419D+01  0.332036D+02  0.142719D+02  0.146950D+02  0.480079D+02
      2  -0.201847D+01 -0.187322D+02 -0.655297D+01 -0.116173D+02 -0.278119D+02
      3  -0.436572D+01 -0.144714D+02 -0.771897D+01 -0.307775D+01 -0.201960D+02
      4   0.872568D+01  0.212421D+02  0.172962D+02  0.177441D+02 -0.145815D+02
      5   0.126327D+02  0.285487D+02  0.200710D+02  0.334436D+02 -0.152313D+02
      6   0.742676D+01  0.882485D+01  0.104495D+02  0.104859D+02  0.139786D+01
               101           102           103           104           105 
      1  -0.153982D+02 -0.113564D+02 -0.345774D+02  0.126103D+02  0.888004D+01
      2   0.961576D+01  0.828761D+01  0.198927D+02 -0.642222D+01 -0.706194D+01
      3   0.578248D+01  0.306876D+01  0.146847D+02 -0.618810D+01 -0.181810D+01
      4   0.121169D+02  0.520728D+01  0.174618D+02 -0.164904D+02 -0.701235D+01
      5   0.622092D+01  0.134861D+02  0.125091D+02 -0.751866D+01 -0.959000D+01
      6  -0.594499D+00  0.325294D+00 -0.172457D+01  0.190839D+01  0.283738D+01
               106           107           108           109           110 
      1  -0.174405D+02  0.648300D+01  0.103061D+02  0.318823D+01  0.645129D+01
      2   0.123307D+02 -0.550934D+01 -0.889993D+01 -0.174389D+01 -0.388345D+01
      3   0.510975D+01 -0.973663D+00 -0.140622D+01 -0.144434D+01 -0.256785D+01
      4   0.645085D+01 -0.695067D+01 -0.344951D+01  0.439538D+01  0.476148D+01
      5   0.172555D+02 -0.388430D+01 -0.115111D+02 -0.279849D+01 -0.321756D+00
      6  -0.583215D+00  0.368285D+01  0.109967D+01 -0.201134D+01  0.116414D+01
               111           112           113           114           115 
      1  -0.394057D+01  0.130756D+02 -0.158393D+01  0.536314D+01 -0.822544D+01
      2   0.173528D+01 -0.451946D+01  0.115643D+02 -0.504842D+01  0.450760D+01
      3   0.220528D+01 -0.855611D+01 -0.998032D+01 -0.314715D+00  0.371784D+01
      4  -0.661739D+00  0.209125D+02  0.390491D+02 -0.175958D+02 -0.842162D+01
      5   0.438558D+01 -0.722233D+01 -0.198398D+02  0.173458D+02  0.152865D+02
      6   0.354563D+00 -0.600742D+01 -0.175981D+02  0.131674D+02  0.676234D+01
               116           117           118           119           120 
      1   0.651112D+01 -0.124826D+01 -0.253556D+01 -0.620770D+01 -0.432982D+01
      2  -0.610838D+01 -0.187573D+01  0.265536D+01  0.802585D+01  0.424051D+01
      3  -0.402738D+00  0.312400D+01 -0.119798D+00 -0.181815D+01  0.893139D-01
      4  -0.218276D+02  0.181196D+02  0.569184D+01  0.781006D+01  0.489403D+01
      5   0.212588D+02 -0.186491D+02  0.244444D+01  0.327375D+01  0.467368D+01
      6   0.161653D+02 -0.128253D+02  0.678506D+01  0.702007D+01  0.567435D+01
               121           122           123           124           125 
      1  -0.529995D+01 -0.229767D+02 -0.848121D+01 -0.698085D+01 -0.188430D+02
      2   0.696414D+01  0.280013D+02  0.934595D+01  0.578094D+01  0.190062D+02
      3  -0.166419D+01 -0.502464D+01 -0.864743D+00  0.119991D+01 -0.163163D+00
      4   0.377468D+01  0.347732D+01  0.342385D+01  0.584651D+01  0.579036D+01
      5   0.164404D+01  0.259598D+01  0.109852D+01  0.509995D+01  0.362761D+01
      6   0.420411D+01  0.135898D+02  0.140734D+02  0.739819D+01  0.261060D+02
               126           127           128           129           130 
      1  -0.185105D+02 -0.129976D+01  0.285052D+01 -0.200034D+01 -0.340903D+01
      2   0.131844D+02  0.418834D+01 -0.560667D+01  0.234184D+01  0.158111D+01
      3   0.532614D+01 -0.288858D+01  0.275614D+01 -0.341505D+00  0.182792D+01
      4   0.412487D+01 -0.369309D+01  0.100057D+02 -0.369821D+01  0.561145D+01
      5   0.307160D+01  0.205344D+01 -0.233550D+01  0.360618D+01 -0.187567D+01
      6   0.229373D+02 -0.424903D+01  0.452939D+01 -0.870034D+00  0.668109D+00
               131           132           133           134           135 
      1  -0.414066D+02  0.132431D+02  0.411645D+00  0.222542D+02 -0.162239D+02
      2   0.576996D+02 -0.170983D+02  0.822767D+00 -0.271293D+02  0.148042D+02
      3  -0.162931D+02  0.385519D+01 -0.123441D+01  0.487510D+01  0.141977D+01
      4  -0.924128D+01  0.408246D+01 -0.388042D+01  0.531387D+01 -0.311686D+01
      5   0.305528D+01 -0.141618D+01  0.314850D+01 -0.171470D+01  0.222159D+01
      6  -0.263961D+02  0.163776D+02  0.187127D+01  0.263532D+02 -0.160098D+02
               136           137           138           139           140 
      1   0.146472D+02 -0.461306D+01  0.569210D+00 -0.691180D+01  0.608509D+01
      2  -0.647306D+00  0.649859D+01  0.749542D+01  0.102546D+02 -0.167371D+01
      3  -0.139999D+02 -0.188553D+01 -0.806463D+01 -0.334281D+01 -0.441138D+01
      4  -0.816805D+01 -0.305711D+01 -0.197214D+01 -0.897955D+01  0.140954D+02
      5   0.222855D+01 -0.653435D+01 -0.141800D+02 -0.809530D+01 -0.186070D+02
      6  -0.518323D+01 -0.856517D+01 -0.275992D+01 -0.126205D+02  0.185297D+02
               141           142           143           144           145 
      1  -0.404181D+01 -0.112441D+01 -0.191903D+01 -0.108563D+02  0.748989D+01
      2   0.135568D+02  0.765018D+01  0.100250D+02  0.284848D+01 -0.282179D+01
      3  -0.951504D+01 -0.652576D+01 -0.810602D+01  0.800782D+01 -0.466810D+01
      4  -0.148353D+02 -0.836511D+00 -0.984882D+01 -0.331645D+01 -0.153293D+02
      5  -0.826896D+01 -0.184944D+02 -0.575832D+01 -0.933435D+01 -0.184215D+02
      6  -0.176327D+02 -0.218957D+01 -0.136806D+02 -0.793857D+01  0.777024D+00
               146           147           148           149           150 
      1  -0.161949D+02 -0.162222D+02 -0.214576D+02 -0.201079D+02 -0.785821D+01
      2   0.129234D+02  0.651928D+01  0.193807D+02  0.225010D+00  0.653339D+01
      3   0.327155D+01  0.970289D+01  0.207691D+01  0.198829D+02  0.132482D+01
      4  -0.208165D+02 -0.334952D+01 -0.354911D+02  0.326991D+02 -0.165267D+02
      5  -0.362021D+01 -0.175075D+02 -0.550763D+01 -0.150205D+02 -0.116318D+02
      6  -0.171008D+01  0.685862D+00 -0.244151D+01  0.239895D+01 -0.656725D+00
               151           152           153           154           155 
      1  -0.218865D+02 -0.710102D+01 -0.185158D+02 -0.854299D+01  0.345691D+00
      2   0.639301D+01  0.599659D+01  0.159689D+02  0.128811D+01 -0.931715D-01
      3   0.154935D+02  0.110443D+01  0.254688D+01  0.725488D+01 -0.252519D+00
      4  -0.440532D+01 -0.170227D+02 -0.931832D+01  0.516220D+01  0.299954D+00
      5  -0.239888D+02 -0.989646D+01  0.304935D+02 -0.135816D+02  0.141636D+01
      6   0.627776D+00  0.130579D+01 -0.357395D+01  0.134198D+01 -0.306362D+01
               156           157           158           159           160 
      1   0.907696D+01  0.175378D+01 -0.235590D+01 -0.129409D+01  0.460169D+01
      2   0.303509D+01 -0.516040D+00  0.329249D+00 -0.123434D+01  0.143487D+01
      3  -0.121121D+02 -0.123774D+01  0.202665D+01  0.252843D+01 -0.603655D+01
      4  -0.935594D+00  0.156396D+01 -0.905847D+00  0.149543D+01 -0.853333D+00
      5   0.364398D+01  0.146120D+01  0.128088D+01  0.572927D+00  0.719826D+01
      6   0.157346D+01 -0.772886D+00 -0.912345D+00  0.365425D+01 -0.250346D-02
               161           162           163           164           165 
      1  -0.534473D+00 -0.311779D+01  0.704183D+01  0.273475D+01  0.695463D+00
      2  -0.407391D+00 -0.263479D+01 -0.109210D+02 -0.429226D+01 -0.117002D+02
      3   0.941864D+00  0.575258D+01  0.387922D+01  0.155751D+01  0.110047D+02
      4   0.744209D-01  0.125679D+01  0.570805D+01  0.608969D+01  0.407286D+01
      5  -0.227674D+00 -0.331931D+01  0.171792D+02  0.725988D+01  0.203017D+02
      6   0.276028D+01  0.100806D+01  0.552544D+01  0.656972D+01  0.468080D+01
               166           167           168           169           170 
      1   0.424703D+01 -0.221915D+01 -0.416492D+01  0.709160D+00 -0.211021D+01
      2  -0.682370D+01 -0.218904D+01 -0.100053D+02 -0.933096D+01 -0.573351D+01
      3   0.257667D+01  0.440819D+01  0.141702D+02  0.862180D+01  0.784372D+01
      4   0.695153D+01  0.656327D+01  0.830350D+01  0.302109D+01  0.550035D+01
      5   0.120338D+02  0.108096D+02  0.157076D+02  0.162704D+02  0.796567D+01
      6   0.750608D+01  0.834481D+01  0.126135D+02  0.434570D+01  0.919436D+01
               171           172           173           174           175 
      1  -0.711946D+01  0.785544D-01 -0.122918D+01 -0.186578D+00 -0.965204D+00
      2  -0.166573D+02  0.143463D-01 -0.874973D+00 -0.214984D+01 -0.167343D+01
      3   0.237768D+02 -0.929006D-01  0.210415D+01  0.233642D+01  0.263863D+01
      4   0.593738D+01 -0.508631D+01  0.823648D+01 -0.359269D+01  0.106848D+02
      5   0.231130D+02  0.477634D+01 -0.485946D+01  0.759060D+01 -0.715137D+01
      6   0.985433D+01 -0.432242D+01  0.552471D+01 -0.272511D+01  0.804308D+01
               176           177           178           179           180 
      1  -0.152691D+02  0.117963D+02 -0.751647D+00  0.668365D+01 -0.647872D+01
      2   0.168960D+02 -0.358800D+01 -0.158599D+01 -0.142361D+01 -0.894733D+00
      3  -0.162689D+01 -0.820827D+01  0.233764D+01 -0.526004D+01  0.737346D+01
      4  -0.208554D+02  0.108308D+02 -0.183560D+01  0.547826D+01 -0.483391D+01
      5   0.123985D+02 -0.979884D+01  0.589295D+01 -0.463433D+01  0.708970D+01
      6  -0.297546D+02  0.212459D+02 -0.256041D+01  0.133384D+02 -0.103666D+02
               181           182           183           184           185 
      1   0.101131D+02  0.252656D+01 -0.910835D+01  0.570968D+01  0.281580D+01
      2  -0.789907D+01 -0.178467D+01  0.671651D+01 -0.408701D+01 -0.962301D+00
      3  -0.221406D+01 -0.741889D+00  0.239185D+01 -0.162267D+01 -0.185350D+01
      4   0.166860D+01  0.417420D+01  0.404605D+00  0.705426D+01 -0.995271D+00
      5  -0.111989D+02 -0.363000D+00  0.150322D+02 -0.182980D+01 -0.350129D+01
      6   0.649125D+00 -0.355863D+00 -0.103496D+01 -0.107326D+01 -0.723910D+00
               186           187           188           189           190 
      1  -0.207767D+00 -0.191818D+02  0.607343D+00  0.892843D+01  0.144783D+02
      2   0.120516D+01  0.142914D+02  0.865672D+00 -0.180691D+02 -0.329094D+01
      3  -0.997394D+00  0.489038D+01 -0.147301D+01  0.914072D+01 -0.111873D+02
      4  -0.375061D+01  0.171295D+01 -0.673954D+01  0.256794D+01 -0.143542D+02
      5   0.581267D+01  0.254392D+02  0.320023D+01 -0.459015D+02  0.387298D+01
      6   0.363558D+01 -0.196181D+01  0.377192D+01  0.415584D+01 -0.894415D+00
               191           192           193           194           195 
      1  -0.964384D+01  0.377987D+01 -0.205603D+02  0.824493D+01  0.293801D+00
      2   0.114317D+01 -0.129634D+01  0.110559D+01  0.155659D+02 -0.238771D+01
      3   0.850067D+01 -0.248352D+01  0.194547D+02 -0.238109D+02  0.209391D+01
      4   0.182670D+02 -0.219335D+01  0.351521D+02 -0.521737D+02  0.858751D+01
      5  -0.159459D+01  0.496893D+01 -0.231161D+01  0.726560D+01 -0.912323D+01
      6   0.610021D+00 -0.659687D+00  0.124843D+01 -0.234887D+01  0.604934D+01
               196           197           198           199           200 
      1   0.838386D+01 -0.528450D+00  0.333424D+01  0.466155D+02  0.152762D+02
      2  -0.273189D+01 -0.195811D+01 -0.111610D+01 -0.242437D+02 -0.832318D+01
      3  -0.565197D+01  0.248656D+01 -0.221814D+01 -0.223717D+02 -0.695299D+01
      4  -0.530204D+01  0.999067D+01 -0.630818D+01  0.154985D+02  0.144552D+02
      5   0.900160D+01 -0.627959D+01  0.250326D+01  0.166490D+02  0.625925D+01
      6  -0.281247D+01  0.528747D+01 -0.254078D+01  0.912031D+00  0.685204D+00
               201           202           203           204           205 
      1   0.151193D+02  0.320099D+02  0.140096D+02  0.794632D+01  0.281302D+02
      2  -0.843192D+01 -0.164989D+02 -0.396674D+01 -0.497413D+01 -0.155540D+02
      3  -0.668740D+01 -0.155110D+02 -0.100428D+02 -0.297218D+01 -0.125761D+02
      4   0.610688D+01  0.215575D+02  0.147657D+02  0.101289D+02  0.800308D+01
      5   0.141466D+02  0.103217D+02  0.923508D+01  0.125217D+02  0.196411D+02
      6   0.743258D-01  0.184183D+01  0.182571D+01  0.241498D+01  0.114215D+01
               206           207           208           209           210 
      1   0.647951D+01  0.129058D+02 -0.124395D+01  0.154805D+01 -0.178956D+01
      2  -0.434120D+01 -0.104742D+02  0.304658D+01 -0.178095D+01  0.638835D+00
      3  -0.213831D+01 -0.243161D+01 -0.180262D+01  0.232901D+00  0.115072D+01
      4   0.116894D+02  0.792218D+01  0.794505D+00  0.688536D+01 -0.707285D+00
      5   0.813948D+01  0.144512D+02 -0.125542D+01  0.278791D+00  0.274271D+01
      6   0.214774D+01  0.207201D+01 -0.194235D+01  0.665555D+00  0.632680D+00
               211           212           213           214           215 
      1  -0.449970D+00 -0.236388D+02  0.382609D+01 -0.213929D+01  0.110148D+02
      2   0.218869D+01  0.388879D+02 -0.802760D+01 -0.905932D+00 -0.190834D+02
      3  -0.173872D+01 -0.152491D+02  0.420151D+01  0.304522D+01  0.806852D+01
      4   0.639544D+01  0.136685D+02 -0.187798D+01 -0.281991D+01 -0.617509D+01
      5   0.705947D-01 -0.145596D+01  0.264842D+01  0.308671D+01  0.389754D+01
      6  -0.286557D+00 -0.704681D+01  0.734411D+01  0.210109D+01  0.118861D+02
               216           217           218           219           220 
      1  -0.552030D+01  0.284292D+01 -0.293328D+01 -0.178249D+01 -0.273455D+01
      2   0.556034D+01 -0.420456D+01  0.433714D+00 -0.249424D+01  0.186442D+01
      3  -0.400356D-01  0.136164D+01  0.249956D+01  0.427673D+01  0.870127D+00
      4   0.458017D+01  0.709966D+01  0.951225D+01  0.862649D+01  0.574241D+01
      5  -0.819732D+00  0.101164D+02  0.772166D+01  0.116013D+02  0.374254D+01
      6  -0.446758D+01  0.686303D+01  0.816487D+01  0.780746D+01  0.515821D+01
               221           222           223           224           225 
      1  -0.102457D+02 -0.640210D+01 -0.167155D+01 -0.104356D+02 -0.165490D+02
      2   0.825017D+01  0.227367D+01 -0.225528D+01 -0.193480D+00 -0.557805D+01
      3   0.199550D+01  0.412843D+01  0.392683D+01  0.106291D+02  0.221271D+02
      4   0.100710D+02  0.723115D+01  0.888521D+01  0.105442D+02  0.134060D+02
      5   0.740169D+01  0.670794D+01  0.116497D+02  0.123214D+02  0.198525D+02
      6   0.113952D+02  0.131276D+02  0.870875D+01  0.199649D+02  0.241775D+02
               226           227           228           229           230 
      1   0.175448D+02 -0.876337D+01 -0.353471D+01 -0.663762D+01 -0.366197D+01
      2  -0.372403D+01 -0.398934D+00  0.159169D+01 -0.220859D+01  0.135521D+02
      3  -0.138208D+02  0.916231D+01  0.194301D+01  0.884621D+01 -0.989011D+01
      4  -0.273228D+02  0.226332D+02  0.101045D+02  0.191764D+02 -0.267048D+02
      5  -0.102489D+02  0.805981D+01  0.913181D+01  0.550746D+01 -0.774916D+01
      6   0.601298D+01 -0.670406D+01 -0.560784D+01 -0.503123D+01  0.914937D+01
               231           232           233           234 
      1  -0.139165D+01 -0.426309D+01  0.935511D+00  0.222224D+01
      2   0.281969D+01  0.164596D+01  0.417361D+01 -0.119282D+01
      3  -0.142804D+01  0.261713D+01 -0.510912D+01 -0.102943D+01
      4  -0.944069D+01  0.116774D+02 -0.147598D+02 -0.670596D+01
      5  -0.578165D+01  0.892346D+01 -0.436079D+01 -0.669624D+01
      6   0.655322D+01 -0.627489D+01  0.412602D+01  0.565976D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Jul 22 20:21:50 2021, MaxMem= 17179869184 cpu:           12404.9 elap:            1036.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -10.30066 -10.29547 -10.29410 -10.29347 -10.29286
 Alpha  occ. eigenvalues --  -10.29253 -10.28796 -10.28282 -10.28275 -10.27979
 Alpha  occ. eigenvalues --   -0.97377  -0.90098  -0.84211  -0.82092  -0.78468
 Alpha  occ. eigenvalues --   -0.77040  -0.72902  -0.66441  -0.61690  -0.58373
 Alpha  occ. eigenvalues --   -0.55806  -0.54950  -0.53465  -0.52454  -0.50768
 Alpha  occ. eigenvalues --   -0.49431  -0.48666  -0.47202  -0.46705  -0.46047
 Alpha  occ. eigenvalues --   -0.45542  -0.44819  -0.43697  -0.41110  -0.39329
 Alpha  occ. eigenvalues --   -0.34818  -0.33458  -0.30879
 Alpha virt. eigenvalues --    0.08153   0.09547   0.10181   0.11230   0.11634
 Alpha virt. eigenvalues --    0.12880   0.13422   0.14151   0.15637   0.16239
 Alpha virt. eigenvalues --    0.16680   0.17272   0.17793   0.18096   0.18928
 Alpha virt. eigenvalues --    0.20522   0.20890   0.21189   0.21383   0.21994
 Alpha virt. eigenvalues --    0.22631   0.22706   0.23815   0.23966   0.25673
 Alpha virt. eigenvalues --    0.25846   0.26445   0.27844   0.28293   0.28796
 Alpha virt. eigenvalues --    0.29980   0.30591   0.31807   0.32236   0.32890
 Alpha virt. eigenvalues --    0.33211   0.33894   0.34004   0.35093   0.35591
 Alpha virt. eigenvalues --    0.36030   0.36411   0.36979   0.37353   0.37563
 Alpha virt. eigenvalues --    0.38465   0.38852   0.39208   0.39682   0.40031
 Alpha virt. eigenvalues --    0.41179   0.41537   0.41886   0.42231   0.42646
 Alpha virt. eigenvalues --    0.42901   0.43226   0.43934   0.44153   0.44556
 Alpha virt. eigenvalues --    0.44840   0.45254   0.45452   0.46341   0.46462
 Alpha virt. eigenvalues --    0.46863   0.47084   0.47690   0.48620   0.48897
 Alpha virt. eigenvalues --    0.49696   0.50200   0.50925   0.51321   0.51589
 Alpha virt. eigenvalues --    0.52052   0.52575   0.53039   0.54005   0.54133
 Alpha virt. eigenvalues --    0.54528   0.55724   0.55889   0.56435   0.57079
 Alpha virt. eigenvalues --    0.57343   0.57648   0.58467   0.58711   0.59305
 Alpha virt. eigenvalues --    0.59841   0.60093   0.60765   0.61038   0.61295
 Alpha virt. eigenvalues --    0.61817   0.62466   0.62753   0.63790   0.64211
 Alpha virt. eigenvalues --    0.64537   0.64831   0.65466   0.66342   0.66702
 Alpha virt. eigenvalues --    0.67731   0.68163   0.68945   0.69130   0.69564
 Alpha virt. eigenvalues --    0.70168   0.71141   0.72377   0.72755   0.73456
 Alpha virt. eigenvalues --    0.74907   0.75719   0.76761   0.77744   0.78794
 Alpha virt. eigenvalues --    0.80144   0.80939   0.81572   0.82515   0.83056
 Alpha virt. eigenvalues --    0.84200   0.84952   0.86132   0.86508   0.87407
 Alpha virt. eigenvalues --    0.88314   0.89057   0.90718   0.91777   0.92992
 Alpha virt. eigenvalues --    0.95704   0.99670   1.00364   1.02453   1.03786
 Alpha virt. eigenvalues --    1.05344   1.05565   1.06435   1.07084   1.08039
 Alpha virt. eigenvalues --    1.08513   1.10227   1.10623   1.10814   1.11348
 Alpha virt. eigenvalues --    1.12307   1.13211   1.14185   1.15649   1.16265
 Alpha virt. eigenvalues --    1.16836   1.17511   1.18962   1.20423   1.23148
 Alpha virt. eigenvalues --    1.24123   1.25550   1.26785   1.28355   1.28811
 Alpha virt. eigenvalues --    1.30724   1.32786   1.33341   1.34941   1.37030
 Alpha virt. eigenvalues --    1.39502   1.40417   1.41403   1.42896   1.43384
 Alpha virt. eigenvalues --    1.44493   1.45552   1.46599   1.47220   1.48078
 Alpha virt. eigenvalues --    1.49019   1.50751   1.51683   1.55679   1.57026
 Alpha virt. eigenvalues --    1.58533   1.59137   1.60045   1.63954   1.65248
 Alpha virt. eigenvalues --    1.67797   1.69337   1.73448   1.76341   1.76519
 Alpha virt. eigenvalues --    1.77293   1.79065   1.80270   1.80755   1.81434
 Alpha virt. eigenvalues --    1.84261   1.84978   1.85783   1.87021   1.90038
 Alpha virt. eigenvalues --    1.92291   1.93212   1.93815   1.95229   1.96442
 Alpha virt. eigenvalues --    1.96792   2.00232   2.01297   2.03690   2.06110
 Alpha virt. eigenvalues --    2.07205   2.09454   2.09990   2.10850   2.11885
 Alpha virt. eigenvalues --    2.14190   2.14437   2.15705   2.16683   2.18272
 Alpha virt. eigenvalues --    2.19773   2.20013   2.20980   2.23165   2.24221
 Alpha virt. eigenvalues --    2.25407   2.27771   2.27785   2.29020   2.30499
 Alpha virt. eigenvalues --    2.32060   2.33075   2.34299   2.36073   2.36349
 Alpha virt. eigenvalues --    2.38316   2.39207   2.42201   2.45120   2.46288
 Alpha virt. eigenvalues --    2.48394   2.49791   2.52074   2.52849   2.52971
 Alpha virt. eigenvalues --    2.57918   2.58252   2.61388   2.63265   2.65655
 Alpha virt. eigenvalues --    2.66850   2.68098   2.68721   2.69469   2.71030
 Alpha virt. eigenvalues --    2.74268   2.75067   2.76039   2.78689   2.79795
 Alpha virt. eigenvalues --    2.85279   2.87207   2.91152   2.95686   2.96809
 Alpha virt. eigenvalues --    2.97762   3.03010   3.04726   3.08042   3.09690
 Alpha virt. eigenvalues --    3.13019   3.16725   3.17285   3.18679   3.18914
 Alpha virt. eigenvalues --    3.21449   3.22342   3.25069   3.26607   3.27590
 Alpha virt. eigenvalues --    3.31107   3.32369   3.33884   3.35737   3.47374
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    6.783741  -0.142677   0.052991   0.258505   0.030508  -0.199117
     2  C   -0.142677   6.619897  -0.070156  -0.267879   0.023185   0.320449
     3  C    0.052991  -0.070156   6.344302   0.053619  -0.377498  -0.408488
     4  C    0.258505  -0.267879   0.053619   6.920914   0.190304   0.068302
     5  C    0.030508   0.023185  -0.377498   0.190304   5.065285  -0.155928
     6  C   -0.199117   0.320449  -0.408488   0.068302  -0.155928   6.869131
     7  C   -0.074967   0.091015  -0.195766  -0.053267   0.014188   0.173243
     8  C   -0.443646  -0.402258  -0.043621  -0.046836   0.019940  -0.075373
     9  H    0.153474  -0.228625  -0.809270   0.070417   0.009019   0.011442
    10  H   -0.083312   0.197814   0.108716   0.052918  -0.001495   0.031447
    11  H    0.006079   0.001488  -0.011179   0.045059   0.252247   0.024932
    12  H   -0.001369   0.000294   0.039862   0.169673   0.179193  -0.054192
    13  H   -0.003721   0.000524   0.015861  -0.009650   0.299370   0.033250
    14  H    0.017502   0.009400   0.014922   0.043726  -0.001896   0.048257
    15  H   -0.004349   0.020527  -0.012009  -0.046925   0.000646  -0.011318
    16  C   -0.088829  -0.083435  -0.067730  -0.036228   0.001272   0.025551
    17  C   -0.289384  -0.281115   0.064335   0.020422  -0.000316   0.004977
    18  H   -0.116111  -0.079722   0.018261  -0.033580   0.007958  -0.030527
    19  H    0.012491   0.034358   0.006104   0.002573  -0.000639   0.001039
    20  H    0.046951   0.015487  -0.019082   0.008376  -0.000751  -0.004459
    21  H   -0.050417  -0.053401   0.006737   0.002095  -0.000011   0.001012
    22  H   -0.009581   0.037692   0.004028  -0.000845  -0.000028  -0.000134
    23  H    0.032195  -0.009174  -0.001286  -0.000478  -0.000008  -0.000452
    24  H   -0.073005   0.017677   0.059580   0.079893  -0.012519   0.076218
    25  H   -0.135388   0.037862   0.198195  -0.128890  -0.011337   0.092336
    26  H    0.027813  -0.000163   0.090136   0.069957  -0.085924  -0.245767
               7          8          9         10         11         12
     1  C   -0.074967  -0.443646   0.153474  -0.083312   0.006079  -0.001369
     2  C    0.091015  -0.402258  -0.228625   0.197814   0.001488   0.000294
     3  C   -0.195766  -0.043621  -0.809270   0.108716  -0.011179   0.039862
     4  C   -0.053267  -0.046836   0.070417   0.052918   0.045059   0.169673
     5  C    0.014188   0.019940   0.009019  -0.001495   0.252247   0.179193
     6  C    0.173243  -0.075373   0.011442   0.031447   0.024932  -0.054192
     7  C    5.676470  -0.113382   0.098376  -0.770185  -0.001253   0.002960
     8  C   -0.113382   9.885729  -0.244128  -0.233890   0.000263  -0.001077
     9  H    0.098376  -0.244128   3.378040  -0.211650   0.000940  -0.000466
    10  H   -0.770185  -0.233890  -0.211650   3.018807  -0.000028  -0.000015
    11  H   -0.001253   0.000263   0.000940  -0.000028   0.571729  -0.014018
    12  H    0.002960  -0.001077  -0.000466  -0.000015  -0.014018   0.601583
    13  H   -0.001672  -0.000134  -0.000646   0.000012   0.043849   0.006060
    14  H    0.156028  -0.016952  -0.004002   0.027132  -0.000081  -0.000267
    15  H    0.303869   0.011080   0.012929  -0.255474   0.000032   0.000059
    16  C   -0.091934  -0.605465   0.127712   0.102664   0.000009   0.000021
    17  C    0.075828  -0.035817  -0.205478  -0.207494  -0.000012   0.000012
    18  H    0.015865   0.164171   0.012997   0.009876   0.000115   0.000261
    19  H   -0.009987   0.248985  -0.004089   0.008245  -0.000010  -0.000025
    20  H    0.009812   0.247606   0.001981  -0.004015   0.000020  -0.000044
    21  H    0.006368   0.136755  -0.037756  -0.032825  -0.000001   0.000000
    22  H   -0.002317   0.225665  -0.023042   0.012765  -0.000001   0.000000
    23  H    0.005730   0.228206   0.012268  -0.021816  -0.000000   0.000000
    24  H    0.016031  -0.023864   0.044613  -0.005825   0.011600  -0.002139
    25  H   -0.007816  -0.012708  -0.366157   0.004359  -0.000980   0.004941
    26  H   -0.381700   0.035599  -0.002933   0.028813  -0.004903  -0.010413
              13         14         15         16         17         18
     1  C   -0.003721   0.017502  -0.004349  -0.088829  -0.289384  -0.116111
     2  C    0.000524   0.009400   0.020527  -0.083435  -0.281115  -0.079722
     3  C    0.015861   0.014922  -0.012009  -0.067730   0.064335   0.018261
     4  C   -0.009650   0.043726  -0.046925  -0.036228   0.020422  -0.033580
     5  C    0.299370  -0.001896   0.000646   0.001272  -0.000316   0.007958
     6  C    0.033250   0.048257  -0.011318   0.025551   0.004977  -0.030527
     7  C   -0.001672   0.156028   0.303869  -0.091934   0.075828   0.015865
     8  C   -0.000134  -0.016952   0.011080  -0.605465  -0.035817   0.164171
     9  H   -0.000646  -0.004002   0.012929   0.127712  -0.205478   0.012997
    10  H    0.000012   0.027132  -0.255474   0.102664  -0.207494   0.009876
    11  H    0.043849  -0.000081   0.000032   0.000009  -0.000012   0.000115
    12  H    0.006060  -0.000267   0.000059   0.000021   0.000012   0.000261
    13  H    0.501811  -0.000121   0.000067   0.001094  -0.000027   0.000344
    14  H   -0.000121   0.660684  -0.105689  -0.013025   0.010364   0.001211
    15  H    0.000067  -0.105689   0.915745  -0.001533   0.006132  -0.006128
    16  C    0.001094  -0.013025  -0.001533   5.879387  -0.535732   0.461580
    17  C   -0.000027   0.010364   0.006132  -0.535732   5.806813  -0.017918
    18  H    0.000344   0.001211  -0.006128   0.461580  -0.017918   0.912275
    19  H   -0.000096  -0.002154  -0.001615  -0.090425   0.009816  -0.049281
    20  H   -0.000187   0.001591  -0.000059  -0.118511   0.010818  -0.065649
    21  H   -0.000001   0.000578   0.000237   0.002228   0.392617  -0.002972
    22  H    0.000000   0.000095  -0.000212   0.007436   0.007663  -0.001887
    23  H   -0.000001   0.001426   0.000007   0.007912   0.014964  -0.001174
    24  H    0.000152   0.000658   0.002292  -0.003057   0.010564   0.006076
    25  H    0.021516   0.001389  -0.001687  -0.009214   0.007547  -0.006128
    26  H   -0.002513   0.037658  -0.060579  -0.000503  -0.000688   0.002751
              19         20         21         22         23         24
     1  C    0.012491   0.046951  -0.050417  -0.009581   0.032195  -0.073005
     2  C    0.034358   0.015487  -0.053401   0.037692  -0.009174   0.017677
     3  C    0.006104  -0.019082   0.006737   0.004028  -0.001286   0.059580
     4  C    0.002573   0.008376   0.002095  -0.000845  -0.000478   0.079893
     5  C   -0.000639  -0.000751  -0.000011  -0.000028  -0.000008  -0.012519
     6  C    0.001039  -0.004459   0.001012  -0.000134  -0.000452   0.076218
     7  C   -0.009987   0.009812   0.006368  -0.002317   0.005730   0.016031
     8  C    0.248985   0.247606   0.136755   0.225665   0.228206  -0.023864
     9  H   -0.004089   0.001981  -0.037756  -0.023042   0.012268   0.044613
    10  H    0.008245  -0.004015  -0.032825   0.012765  -0.021816  -0.005825
    11  H   -0.000010   0.000020  -0.000001  -0.000001  -0.000000   0.011600
    12  H   -0.000025  -0.000044   0.000000   0.000000   0.000000  -0.002139
    13  H   -0.000096  -0.000187  -0.000001   0.000000  -0.000001   0.000152
    14  H   -0.002154   0.001591   0.000578   0.000095   0.001426   0.000658
    15  H   -0.001615  -0.000059   0.000237  -0.000212   0.000007   0.002292
    16  C   -0.090425  -0.118511   0.002228   0.007436   0.007912  -0.003057
    17  C    0.009816   0.010818   0.392617   0.007663   0.014964   0.010564
    18  H   -0.049281  -0.065649  -0.002972  -0.001887  -0.001174   0.006076
    19  H    0.737430  -0.058122  -0.000995  -0.001301   0.002983  -0.000584
    20  H   -0.058122   0.762094  -0.001718   0.008223   0.000844  -0.006169
    21  H   -0.000995  -0.001718   0.636658  -0.040287  -0.040191   0.000798
    22  H   -0.001301   0.008223  -0.040287   0.675070  -0.002127   0.000994
    23  H    0.002983   0.000844  -0.040191  -0.002127   0.674468   0.000281
    24  H   -0.000584  -0.006169   0.000798   0.000994   0.000281   0.748596
    25  H    0.000204   0.000501   0.000778   0.000187  -0.000122  -0.074859
    26  H    0.000817  -0.000987  -0.000028   0.000005  -0.000062  -0.011225
              25         26
     1  C   -0.135388   0.027813
     2  C    0.037862  -0.000163
     3  C    0.198195   0.090136
     4  C   -0.128890   0.069957
     5  C   -0.011337  -0.085924
     6  C    0.092336  -0.245767
     7  C   -0.007816  -0.381700
     8  C   -0.012708   0.035599
     9  H   -0.366157  -0.002933
    10  H    0.004359   0.028813
    11  H   -0.000980  -0.004903
    12  H    0.004941  -0.010413
    13  H    0.021516  -0.002513
    14  H    0.001389   0.037658
    15  H   -0.001687  -0.060579
    16  C   -0.009214  -0.000503
    17  C    0.007547  -0.000688
    18  H   -0.006128   0.002751
    19  H    0.000204   0.000817
    20  H    0.000501  -0.000987
    21  H    0.000778  -0.000028
    22  H    0.000187   0.000005
    23  H   -0.000122  -0.000062
    24  H   -0.074859  -0.011225
    25  H    1.183141  -0.010377
    26  H   -0.010377   1.649274
 Mulliken charges:
               1
     1  C    0.293622
     2  C    0.190936
     3  C    0.938435
     4  C   -1.432178
     5  C    0.555236
     6  C   -0.595830
     7  C    1.058464
     8  C   -2.904847
     9  H   -0.795965
    10  H   -0.775545
    11  H    0.074106
    12  H    0.079105
    13  H    0.094857
    14  H    0.111565
    15  H    0.233956
    16  C    1.128755
    17  C    1.131108
    18  H   -0.202664
    19  H    0.154278
    20  H    0.165448
    21  H    0.073740
    22  H    0.101939
    23  H    0.095607
    24  H    0.137222
    25  H    0.212708
    26  H   -0.124056
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.502343
     2  C   -0.584609
     3  C    1.288365
     4  C   -1.432178
     5  C    0.803303
     6  C   -0.719886
     7  C    1.403984
     8  C   -2.904847
    16  C    1.245817
    17  C    1.402394
 Electronic spatial extent (au):  <R**2>=           1563.2682
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.0141    Y=             -0.1344    Z=             -0.1092  Tot=              0.1737
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -63.1910   YY=            -62.1531   ZZ=            -63.8191
   XY=              0.6687   XZ=             -0.6762   YZ=              0.5635
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.1366   YY=              0.9013   ZZ=             -0.7647
   XY=              0.6687   XZ=             -0.6762   YZ=              0.5635
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -4.1087  YYY=              2.0762  ZZZ=             -3.4723  XYY=             -1.2763
  XXY=              0.2432  XXZ=              0.7846  XZZ=              2.2034  YZZ=             -0.9002
  YYZ=              0.4521  XYZ=             -1.8668
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1418.5930 YYYY=           -453.2709 ZZZZ=           -325.6349 XXXY=              1.7048
 XXXZ=             -3.9530 YYYX=             -4.5278 YYYZ=             -5.1391 ZZZX=             -2.0597
 ZZZY=              4.9821 XXYY=           -308.3937 XXZZ=           -284.5967 YYZZ=           -125.0115
 XXYZ=              6.3758 YYXZ=             -0.9912 ZZXY=              5.2648
 N-N= 5.515122621454D+02 E-N=-2.003772346816D+03  KE= 3.853669590007D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Jul 22 20:21:50 2021, MaxMem= 17179869184 cpu:               2.4 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-6.99461372D-03-4.19829553D-02-4.97388206D-02
 Polarizability= 1.26502754D+02 3.99572358D+00 1.15584620D+02
                 4.11182155D-01 2.40014589D+00 9.70184714D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.3084   -0.3066        2.1138    2.1161
 2      0.3084    0.3066       -1.2034   -1.2034       -4.9822   -4.9798
 3     -2.1138   -2.1161       14.5103   14.5080        1.2029    1.2034
 4      1.2034    1.2034        0.0000    0.0000       -2.1154   -2.1161
 5     -9.5281   -9.5282        2.1154    2.1161       -0.3082   -0.3066
 6     -1.2029   -1.2034        0.3082    0.3066        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.9199    0.9199        6.3482    6.3482
 2      3.6101    3.6101        0.0000    0.0000        6.3482    6.3482
 3      3.6101    3.6101        0.9199    0.9199       -0.0000    0.0000
 4      0.9199    0.9199       -3.6101   -3.6101      -14.9395  -14.9395
 5     -6.3482   -6.3482       43.5240   43.5240        3.6101    3.6101
 6    -28.5845  -28.5845        6.3482    6.3482       -0.9199   -0.9199
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.5211    0.0000        1.3861    1.2266       -8.4126   -8.4643
 2     -1.7015   -1.2266        3.8343    4.8135       19.3911   19.9194
 3      9.4072    8.4643      -57.0401  -58.0320       -4.4575   -4.8135
 4     -4.4517   -4.8135        0.1120    0.0000        8.3492    8.4643
 5     37.9653   38.1126       -8.6404   -8.4643        0.9118    1.2266
 6      5.0978    4.8135       -1.2654   -1.2266        0.0811    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.4388    0.0000       19.7024   20.8826       -9.3878   -8.4040
 2    -21.9620  -20.8826       37.5009   38.5792       17.6425   17.6332
 3      8.1393    8.4040       10.3268   11.1898      -39.6338  -38.5792
 4    -38.5867  -38.5792        0.7452    0.0000        9.2993    8.4040
 5    -30.0550  -28.8230      -10.0059   -8.4040       20.2635   20.8826
 6     38.8743   38.5792      -20.4292  -20.8826       -0.1136    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -17.6984  -17.4084       23.0606   23.5680       16.2592   16.4305
 2    -81.1057  -80.5217       49.8396   50.7894       16.4509   16.4305
 3    -81.0818  -80.5217       23.0563   23.5680       20.6709   20.0499
 4    -27.4309  -27.2214       63.1175   63.1132       27.6638   27.1299
 5      2.4986    3.6194       12.6829   14.4174      -64.2571  -63.1132
 6    -44.0961  -41.5472       -6.7710   -3.6194       25.4524   27.2214
 Full mass-weighted force constant matrix:
 Low frequencies ---   -8.2833   -4.6047   -0.0007   -0.0003    0.0002    4.3005
 Low frequencies ---   79.9287  158.5335  180.6431
 Diagonal vibrational polarizability:
        1.8139426       1.5843026       3.3831176
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     79.9237               158.5328               180.6427
 Red. masses --      2.6809                 1.6030                 1.3070
 Frc consts  --      0.0101                 0.0237                 0.0251
 IR Inten    --      0.0447                 0.4728                 0.3513
 RamAct Fr= 1--      0.9041                 1.9341                 0.3372
  Dep-P Fr= 1--      0.7345                 0.7456                 0.7462
  Dep-U Fr= 1--      0.8469                 0.8543                 0.8546
 Alpha2 Fr= 1--      0.0002                 0.0001                 0.0000
 Beta2  Fr= 1--      0.1276                 0.2754                 0.0480
 AlphaG Fr= 1--      0.0014                 0.0039                 0.0009
 Gamma2 Fr= 1--     -0.0966                 0.1115                 0.1965
 Delta2 Fr= 1--     -0.0505                 0.0349                -0.0127
 Raman1 Fr= 1--       3.616                  7.736                  1.349
 ROA1   Fr= 1--     -10.892                 11.815                 18.460
 CID1   Fr= 1--      -3.012                  1.527                 13.684
 Raman2 Fr= 1--       1.531                  3.304                  0.576
 ROA2   Fr= 1--      -1.915                  2.396                  4.818
 CID2   Fr= 1--      -1.251                  0.725                  8.358
 Raman3 Fr= 1--       3.063                  6.609                  1.153
 ROA3   Fr= 1--     -10.892                 11.815                 18.460
 CID3   Fr= 1--      -3.556                  1.788                 16.012
 RC180  Fr= 1--       0.694                  0.709                  0.709
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.03  -0.07    -0.01  -0.02  -0.00     0.00  -0.02  -0.00
     2   6     0.03   0.02  -0.03     0.00  -0.01  -0.03    -0.01  -0.02  -0.01
     3   6    -0.01   0.05  -0.17    -0.03   0.01  -0.08     0.00  -0.02   0.04
     4   6     0.05  -0.00   0.01     0.00  -0.02   0.02     0.01  -0.00   0.03
     5   6     0.12  -0.06   0.20    -0.02  -0.01  -0.04    -0.02   0.04  -0.01
     6   6     0.04   0.00   0.01     0.04  -0.05   0.10     0.02   0.00   0.02
     7   6    -0.00   0.04  -0.11     0.02  -0.03   0.02    -0.00   0.00  -0.06
     8   6    -0.05  -0.00   0.01    -0.01   0.00   0.00    -0.00  -0.00  -0.00
     9   1     0.08   0.03  -0.04     0.03  -0.03   0.02    -0.01  -0.04  -0.00
    10   1     0.10   0.02   0.03    -0.01  -0.01  -0.04     0.01  -0.04  -0.01
    11   1     0.02  -0.12   0.28    -0.14   0.36  -0.14    -0.18   0.46  -0.11
    12   1     0.13  -0.08   0.27     0.09  -0.09   0.28     0.13  -0.05   0.37
    13   1     0.26  -0.03   0.22    -0.03  -0.26  -0.34    -0.03  -0.26  -0.35
    14   1     0.00   0.16  -0.17     0.06  -0.01  -0.01     0.01   0.09  -0.11
    15   1    -0.06  -0.05  -0.20    -0.04  -0.04   0.02    -0.04  -0.06  -0.13
    16   6    -0.14  -0.04  -0.01     0.02   0.15   0.03    -0.02  -0.08  -0.02
    17   6    -0.04  -0.03   0.11    -0.02  -0.06   0.00     0.02   0.09   0.03
    18   1    -0.14  -0.01  -0.06    -0.02  -0.05  -0.01     0.02   0.09   0.02
    19   1    -0.15  -0.08   0.04    -0.13   0.39  -0.08     0.12  -0.26   0.05
    20   1    -0.19  -0.05  -0.04     0.25   0.25   0.20    -0.21  -0.16  -0.13
    21   1     0.05  -0.01   0.14    -0.01  -0.10  -0.00     0.00  -0.02   0.00
    22   1    -0.08  -0.04   0.11    -0.06  -0.06   0.04     0.13   0.16   0.16
    23   1    -0.07  -0.05   0.18     0.01  -0.06  -0.02    -0.05   0.24  -0.06
    24   1    -0.05  -0.07  -0.32    -0.07  -0.07  -0.18     0.02   0.01   0.07
    25   1    -0.03   0.25  -0.23    -0.03   0.13  -0.13    -0.01  -0.05   0.06
    26   1     0.07  -0.03   0.13     0.07  -0.06   0.18     0.02   0.01   0.02
                      4                      5                      6
                      A                      A                      A
 Frequencies --    188.9809               205.9619               236.2658
 Red. masses --      1.3768                 1.2108                 2.2714
 Frc consts  --      0.0290                 0.0303                 0.0747
 IR Inten    --      0.0864                 0.0053                 0.2991
 RamAct Fr= 1--      0.2079                 1.2524                 0.8667
  Dep-P Fr= 1--      0.4997                 0.7278                 0.0888
  Dep-U Fr= 1--      0.6664                 0.8424                 0.1631
 Alpha2 Fr= 1--      0.0010                 0.0005                 0.0156
 Beta2  Fr= 1--      0.0231                 0.1758                 0.0236
 AlphaG Fr= 1--      0.0122                 0.0056                 0.0122
 Gamma2 Fr= 1--     -0.1750                 0.3442                -0.1290
 Delta2 Fr= 1--     -0.0782                 0.0991                -0.0423
 Raman1 Fr= 1--       0.832                  5.010                  3.467
 ROA1   Fr= 1--     -19.304                 36.218                -13.742
 CID1   Fr= 1--     -23.212                  7.230                 -3.964
 Raman2 Fr= 1--       0.277                  2.110                  0.283
 ROA2   Fr= 1--      -3.575                  7.468                 -2.759
 CID2   Fr= 1--     -12.902                  3.539                 -9.758
 Raman3 Fr= 1--       0.554                  4.220                  0.565
 ROA3   Fr= 1--     -19.304                 36.218                -13.742
 CID3   Fr= 1--     -34.832                  8.582                -24.302
 RC180  Fr= 1--       0.333                  0.685                 -0.674
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.04   0.01    -0.01  -0.03  -0.00     0.01  -0.02   0.08
     2   6     0.01   0.04   0.01    -0.00  -0.03  -0.01     0.01  -0.02   0.07
     3   6     0.02   0.01   0.01    -0.03   0.00  -0.07    -0.05   0.04  -0.10
     4   6     0.00  -0.01   0.00    -0.01  -0.01  -0.01    -0.04   0.01  -0.01
     5   6     0.02  -0.06  -0.02    -0.01   0.01  -0.01    -0.04   0.01  -0.01
     6   6    -0.02  -0.01  -0.00     0.02  -0.02   0.04    -0.03   0.00  -0.00
     7   6    -0.02   0.02   0.00     0.03  -0.03   0.04    -0.06   0.02  -0.12
     8   6     0.00   0.04   0.01    -0.00  -0.01  -0.00     0.01  -0.01   0.09
     9   1     0.02   0.04   0.02     0.01  -0.03   0.01     0.06  -0.04   0.11
    10   1    -0.01   0.05  -0.00    -0.01  -0.02  -0.02     0.06  -0.03   0.10
    11   1     0.01   0.02  -0.06     0.07  -0.17   0.04    -0.01  -0.04  -0.00
    12   1     0.01  -0.11   0.06    -0.07   0.07  -0.20    -0.05   0.02  -0.07
    13   1     0.05  -0.13  -0.11    -0.05   0.15   0.16    -0.05   0.04   0.03
    14   1    -0.04   0.03   0.01     0.06  -0.08   0.06    -0.11   0.27  -0.23
    15   1    -0.04   0.01   0.00     0.02   0.00   0.09    -0.11  -0.16  -0.33
    16   6     0.01   0.07   0.01     0.01   0.04   0.01     0.18  -0.06   0.13
    17   6    -0.03  -0.12  -0.02     0.01   0.04   0.01    -0.01   0.02  -0.06
    18   1     0.11   0.55   0.11     0.05   0.25   0.05     0.20  -0.05   0.26
    19   1     0.38  -0.26   0.02     0.17  -0.08  -0.01     0.27  -0.10   0.08
    20   1    -0.46  -0.06  -0.09    -0.19  -0.00  -0.01     0.20  -0.08   0.06
    21   1    -0.03  -0.11  -0.02    -0.08  -0.37  -0.07    -0.11   0.13  -0.07
    22   1    -0.17  -0.17  -0.08     0.16   0.18   0.42     0.03  -0.00  -0.20
    23   1     0.07  -0.24  -0.00    -0.04   0.37  -0.31     0.04  -0.03  -0.06
    24   1     0.05   0.02   0.02    -0.08  -0.06  -0.14    -0.18  -0.09  -0.27
    25   1     0.03  -0.01   0.02    -0.03   0.10  -0.11    -0.00   0.26  -0.21
    26   1    -0.03  -0.02  -0.01     0.04  -0.03   0.08    -0.02   0.00   0.02
                      7                      8                      9
                      A                      A                      A
 Frequencies --    251.6382               270.7465               339.1865
 Red. masses --      1.5944                 1.8233                 2.5521
 Frc consts  --      0.0595                 0.0787                 0.1730
 IR Inten    --      0.9087                 1.7147                 0.1342
 RamAct Fr= 1--      0.7916                 0.4447                 1.9318
  Dep-P Fr= 1--      0.6257                 0.7492                 0.4405
  Dep-U Fr= 1--      0.7698                 0.8566                 0.6116
 Alpha2 Fr= 1--      0.0018                 0.0000                 0.0123
 Beta2  Fr= 1--      0.1016                 0.0635                 0.1969
 AlphaG Fr= 1--     -0.0047                -0.0010                -0.0006
 Gamma2 Fr= 1--      0.1479                -0.3639                -0.1582
 Delta2 Fr= 1--      0.1437                -0.0441                 0.0192
 Raman1 Fr= 1--       3.166                  1.779                  7.727
 ROA1   Fr= 1--      18.800                -36.348                -14.570
 CID1   Fr= 1--       5.937                -20.436                 -1.886
 Raman2 Fr= 1--       1.219                  0.762                  2.363
 ROA2   Fr= 1--       2.401                 -8.381                 -3.950
 CID2   Fr= 1--       1.970                -11.002                 -1.672
 Raman3 Fr= 1--       2.437                  1.524                  4.726
 ROA3   Fr= 1--      18.800                -36.348                -14.570
 CID3   Fr= 1--       7.713                -23.858                 -3.083
 RC180  Fr= 1--       0.540                  0.713                  0.223
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.04  -0.01    -0.00   0.05  -0.01    -0.02  -0.09   0.05
     2   6    -0.02  -0.03  -0.06     0.00   0.04  -0.00    -0.01  -0.08   0.00
     3   6    -0.01  -0.03  -0.01     0.04   0.02   0.07    -0.03   0.03   0.03
     4   6     0.02  -0.03   0.05     0.04   0.00   0.09     0.05   0.09   0.02
     5   6    -0.04   0.06  -0.04     0.02  -0.04  -0.10     0.13  -0.10  -0.07
     6   6     0.06  -0.05   0.13     0.04  -0.01   0.13     0.04   0.09   0.01
     7   6     0.02  -0.03  -0.02    -0.03   0.06  -0.08     0.09   0.01   0.01
     8   6    -0.01   0.01  -0.02    -0.01   0.02  -0.01    -0.07  -0.06   0.06
     9   1     0.00  -0.06  -0.01    -0.02   0.04  -0.01    -0.00  -0.15   0.09
    10   1    -0.03  -0.04  -0.07     0.02   0.03   0.01     0.05  -0.12   0.02
    11   1     0.09  -0.06  -0.05     0.24  -0.13  -0.17     0.27  -0.13  -0.13
    12   1    -0.07   0.16  -0.28    -0.11  -0.04  -0.31    -0.04  -0.28  -0.05
    13   1    -0.20   0.17   0.11    -0.09   0.02  -0.02     0.27  -0.15  -0.14
    14   1     0.10   0.06  -0.10     0.01   0.32  -0.24     0.15  -0.06   0.03
    15   1    -0.10  -0.09  -0.07    -0.19  -0.13  -0.28     0.17   0.05   0.05
    16   6    -0.03   0.03  -0.02    -0.04  -0.05  -0.02    -0.10   0.02   0.07
    17   6     0.02   0.07   0.03    -0.03  -0.07  -0.01    -0.09   0.09  -0.13
    18   1     0.01   0.21  -0.00    -0.07  -0.22  -0.06    -0.10   0.09   0.01
    19   1     0.10  -0.09  -0.02    -0.17   0.03   0.02    -0.10   0.02   0.06
    20   1    -0.21  -0.01  -0.05     0.12  -0.02  -0.03    -0.18   0.02   0.13
    21   1     0.14   0.47   0.12    -0.09  -0.35  -0.07    -0.29   0.26  -0.15
    22   1    -0.02  -0.02  -0.32    -0.07  -0.02   0.23     0.07   0.08  -0.32
    23   1    -0.05  -0.16   0.36     0.03   0.04  -0.22    -0.07   0.09  -0.16
    24   1    -0.02  -0.06  -0.05     0.11   0.05   0.11    -0.12   0.02   0.02
    25   1    -0.03   0.03  -0.02    -0.00  -0.04   0.12    -0.07   0.08   0.03
    26   1     0.09  -0.06   0.18     0.04  -0.02   0.15     0.06   0.11   0.00
                     10                     11                     12
                      A                      A                      A
 Frequencies --    351.7100               408.5685               430.4584
 Red. masses --      2.5746                 2.8090                 2.0125
 Frc consts  --      0.1876                 0.2763                 0.2197
 IR Inten    --      0.1304                 1.1043                 2.4950
 RamAct Fr= 1--      1.3103                 1.7298                 1.5855
  Dep-P Fr= 1--      0.1962                 0.5093                 0.7259
  Dep-U Fr= 1--      0.3281                 0.6749                 0.8412
 Alpha2 Fr= 1--      0.0180                 0.0082                 0.0007
 Beta2  Fr= 1--      0.0717                 0.1946                 0.2223
 AlphaG Fr= 1--      0.0103                -0.0048                 0.0031
 Gamma2 Fr= 1--      0.0058                 0.3425                -0.1697
 Delta2 Fr= 1--     -0.2143                 0.1403                -0.1506
 Raman1 Fr= 1--       5.241                  6.919                  6.342
 ROA1   Fr= 1--      -6.304                 37.370                -21.109
 CID1   Fr= 1--      -1.203                  5.401                 -3.329
 Raman2 Fr= 1--       0.860                  2.335                  2.667
 ROA2   Fr= 1--       1.852                  7.098                 -2.868
 CID2   Fr= 1--       2.154                  3.040                 -1.075
 Raman3 Fr= 1--       1.720                  4.669                  5.335
 ROA3   Fr= 1--      -6.304                 37.370                -21.109
 CID3   Fr= 1--      -3.666                  8.003                 -3.957
 RC180  Fr= 1--      -0.344                  0.350                  0.682
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.03  -0.03     0.07   0.00   0.07     0.01  -0.02   0.04
     2   6    -0.02  -0.04  -0.07     0.10  -0.02   0.06    -0.04   0.01  -0.06
     3   6    -0.09   0.10   0.03    -0.02   0.09   0.02     0.01  -0.01  -0.00
     4   6    -0.08   0.11   0.05    -0.10   0.01   0.07     0.10  -0.06   0.22
     5   6     0.00  -0.14  -0.04    -0.11  -0.05   0.03     0.02   0.02  -0.01
     6   6    -0.06   0.11   0.03    -0.07   0.01   0.01    -0.04   0.03  -0.11
     7   6     0.01  -0.00  -0.01    -0.01  -0.06  -0.02    -0.01   0.01   0.01
     8   6     0.03  -0.04  -0.07     0.16  -0.02   0.02    -0.00   0.06  -0.00
     9   1    -0.13  -0.05  -0.06     0.00  -0.00   0.04     0.03  -0.06   0.06
    10   1    -0.06  -0.06  -0.12     0.05   0.01   0.04    -0.08  -0.01  -0.10
    11   1     0.16  -0.18  -0.10    -0.08  -0.03   0.00     0.18   0.14  -0.15
    12   1    -0.20  -0.33  -0.02    -0.15  -0.07   0.02    -0.00   0.07  -0.12
    13   1     0.16  -0.18  -0.11    -0.12  -0.06   0.01    -0.23  -0.04  -0.06
    14   1     0.08  -0.05  -0.02    -0.08   0.07  -0.06    -0.02  -0.19   0.12
    15   1     0.06   0.03   0.01     0.00  -0.14  -0.12     0.08   0.15   0.16
    16   6     0.12  -0.01  -0.06    -0.14   0.04  -0.06     0.00  -0.02  -0.01
    17   6     0.09  -0.02   0.15     0.18  -0.01  -0.10    -0.02  -0.01   0.01
    18   1     0.14   0.00   0.04    -0.19   0.10  -0.41    -0.01  -0.10   0.00
    19   1     0.19  -0.01  -0.12    -0.33   0.05   0.10    -0.03  -0.07   0.05
    20   1     0.14  -0.01  -0.07    -0.31   0.04   0.06     0.05  -0.04  -0.12
    21   1     0.34   0.01   0.21     0.05   0.02  -0.12    -0.00  -0.06   0.01
    22   1     0.05  -0.01   0.20     0.23  -0.02  -0.16    -0.10  -0.02   0.04
    23   1    -0.07  -0.02   0.32     0.24  -0.01  -0.16     0.03  -0.05  -0.00
    24   1    -0.15   0.09   0.01    -0.09  -0.03  -0.13    -0.04  -0.29  -0.37
    25   1    -0.14   0.14   0.03     0.03   0.25  -0.07    -0.10   0.43  -0.14
    26   1    -0.02   0.16   0.03    -0.03   0.09  -0.04    -0.13   0.07  -0.34
                     13                     14                     15
                      A                      A                      A
 Frequencies --    465.2975               509.7347               580.4267
 Red. masses --      2.3762                 4.0923                 4.0635
 Frc consts  --      0.3031                 0.6265                 0.8066
 IR Inten    --      0.8969                 0.5477                 0.3997
 RamAct Fr= 1--      0.2699                 2.2104                 3.4088
  Dep-P Fr= 1--      0.6480                 0.6280                 0.5709
  Dep-U Fr= 1--      0.7864                 0.7715                 0.7268
 Alpha2 Fr= 1--      0.0005                 0.0049                 0.0115
 Beta2  Fr= 1--      0.0354                 0.2842                 0.4129
 AlphaG Fr= 1--      0.0014                -0.0023                -0.0107
 Gamma2 Fr= 1--      0.0338                -0.1159                -0.3317
 Delta2 Fr= 1--      0.0833                -0.0133                 0.0731
 Raman1 Fr= 1--       1.079                  8.842                 13.635
 ROA1   Fr= 1--       5.913                -11.553                -29.505
 CID1   Fr= 1--       5.478                 -1.307                 -2.164
 Raman2 Fr= 1--       0.424                  3.411                  4.955
 ROA2   Fr= 1--       0.145                 -2.675                 -8.546
 CID2   Fr= 1--       0.342                 -0.784                 -1.725
 Raman3 Fr= 1--       0.849                  6.822                  9.910
 ROA3   Fr= 1--       5.913                -11.553                -29.505
 CID3   Fr= 1--       6.966                 -1.694                 -2.977
 RC180  Fr= 1--       0.573                  0.543                  0.454
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06  -0.07   0.14    -0.03   0.13  -0.03    -0.20   0.03   0.16
     2   6    -0.06   0.01  -0.15     0.21   0.08  -0.10     0.01   0.08   0.12
     3   6    -0.01   0.01  -0.01    -0.03   0.06   0.03    -0.18  -0.19  -0.00
     4   6    -0.04   0.05  -0.12    -0.12  -0.06   0.07     0.01  -0.06  -0.04
     5   6     0.00  -0.00   0.00    -0.20  -0.13   0.03     0.00  -0.05  -0.01
     6   6     0.01  -0.00   0.07     0.12  -0.08  -0.07     0.17  -0.05  -0.08
     7   6    -0.00  -0.01   0.00     0.21  -0.07  -0.06     0.11   0.21   0.03
     8   6     0.05   0.20   0.05    -0.06   0.09   0.04     0.04   0.04  -0.03
     9   1     0.13  -0.21   0.24     0.00  -0.06   0.07    -0.27   0.24   0.03
    10   1    -0.17  -0.04  -0.28     0.33   0.05  -0.01    -0.12  -0.15  -0.15
    11   1    -0.08  -0.06   0.07    -0.13  -0.12  -0.01     0.03  -0.08  -0.02
    12   1     0.01  -0.03   0.07    -0.26  -0.16   0.01    -0.05  -0.11   0.01
    13   1     0.14   0.02   0.02    -0.21  -0.14   0.02     0.09  -0.06  -0.04
    14   1     0.12  -0.15   0.03     0.18  -0.22   0.03    -0.04   0.38  -0.00
    15   1    -0.05   0.09   0.14     0.16   0.05   0.10     0.04   0.07  -0.13
    16   6    -0.01  -0.05  -0.01     0.01  -0.03   0.06     0.00   0.01  -0.08
    17   6     0.01  -0.02  -0.01    -0.12   0.05   0.01     0.08  -0.00   0.00
    18   1    -0.05  -0.23  -0.06     0.02  -0.14   0.19    -0.02  -0.01  -0.18
    19   1    -0.14  -0.21   0.27     0.04  -0.09   0.10    -0.07  -0.02   0.01
    20   1     0.04  -0.13  -0.31     0.12  -0.05  -0.12    -0.03  -0.01  -0.13
    21   1    -0.03  -0.12  -0.03    -0.17   0.08   0.00     0.16   0.00   0.02
    22   1    -0.21  -0.07   0.02    -0.11   0.05  -0.03     0.06   0.00   0.04
    23   1     0.20  -0.13  -0.08    -0.09   0.05  -0.01     0.02   0.00   0.06
    24   1    -0.18   0.02   0.03     0.16   0.09   0.04    -0.29  -0.28  -0.12
    25   1     0.13   0.00  -0.07    -0.02  -0.04   0.06    -0.10  -0.01  -0.12
    26   1     0.06  -0.04   0.22     0.25   0.09  -0.09     0.12  -0.10  -0.09
                     16                     17                     18
                      A                      A                      A
 Frequencies --    686.5165               724.3458               772.3555
 Red. masses --      3.1662                 4.1366                 2.8073
 Frc consts  --      0.8792                 1.2787                 0.9867
 IR Inten    --      0.1763                 1.4356                 2.2058
 RamAct Fr= 1--      9.1964                14.5679                 6.0726
  Dep-P Fr= 1--      0.1667                 0.0716                 0.4523
  Dep-U Fr= 1--      0.2857                 0.1337                 0.6229
 Alpha2 Fr= 1--      0.1362                 0.2732                 0.0369
 Beta2  Fr= 1--      0.4379                 0.3247                 0.6304
 AlphaG Fr= 1--      0.0631                 0.1743                -0.1721
 Gamma2 Fr= 1--     -1.0106                -0.7944                 1.3750
 Delta2 Fr= 1--     -0.4366                -0.8896                 1.1783
 Raman1 Fr= 1--      36.786                 58.272                 24.291
 ROA1   Fr= 1--    -110.991               -104.726                169.706
 CID1   Fr= 1--      -3.017                 -1.797                  6.987
 Raman2 Fr= 1--       5.255                  3.896                  7.565
 ROA2   Fr= 1--     -20.762                -11.948                 23.574
 CID2   Fr= 1--      -3.951                 -3.067                  3.116
 Raman3 Fr= 1--      10.510                  7.792                 15.130
 ROA3   Fr= 1--    -110.991               -104.726                169.706
 CID3   Fr= 1--     -10.561                -13.441                 11.217
 RC180  Fr= 1--      -0.429                 -0.733                  0.246
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11   0.13  -0.10     0.17  -0.15  -0.04    -0.01   0.07   0.20
     2   6    -0.10  -0.01  -0.14    -0.04   0.04  -0.05     0.02   0.10  -0.13
     3   6    -0.05  -0.01  -0.04     0.11  -0.12  -0.07     0.05   0.13   0.08
     4   6     0.02  -0.02   0.02    -0.02   0.02   0.02     0.00  -0.05  -0.05
     5   6     0.02   0.00  -0.00    -0.21  -0.09   0.05     0.03   0.00  -0.01
     6   6     0.02  -0.01  -0.01    -0.02   0.11   0.04     0.01  -0.08  -0.01
     7   6    -0.02   0.05  -0.05     0.03   0.33   0.02    -0.05   0.05  -0.03
     8   6     0.04  -0.03   0.06    -0.03  -0.09  -0.02    -0.04  -0.19  -0.04
     9   1    -0.14   0.18  -0.14     0.27  -0.13  -0.01    -0.11  -0.10   0.24
    10   1    -0.14  -0.06  -0.21     0.09  -0.03   0.01     0.00  -0.04  -0.24
    11   1     0.08   0.03  -0.05    -0.19  -0.07   0.03    -0.07   0.03   0.03
    12   1    -0.00   0.01  -0.05    -0.25  -0.10   0.02     0.15   0.11  -0.02
    13   1    -0.06  -0.02  -0.01    -0.26  -0.10   0.05    -0.02   0.04   0.03
    14   1     0.09  -0.20   0.03     0.13   0.14   0.08    -0.09  -0.13   0.07
    15   1    -0.00   0.21   0.15     0.09   0.43   0.13    -0.14   0.20   0.17
    16   6    -0.05  -0.04   0.25    -0.01  -0.02   0.02    -0.00  -0.04  -0.03
    17   6     0.20  -0.04  -0.03     0.00  -0.02  -0.01    -0.02  -0.04  -0.01
    18   1    -0.06  -0.03   0.20     0.01   0.06   0.05     0.01   0.04  -0.03
    19   1    -0.10  -0.04   0.30     0.05   0.06  -0.12     0.04   0.07  -0.18
    20   1    -0.09  -0.04   0.30    -0.01   0.02   0.17    -0.02   0.02   0.16
    21   1     0.10  -0.00  -0.05    -0.03   0.01  -0.01     0.03   0.13   0.03
    22   1     0.28  -0.03  -0.10     0.07  -0.01  -0.03     0.33   0.05  -0.02
    23   1     0.26  -0.03  -0.09    -0.03   0.02  -0.02    -0.31   0.16   0.08
    24   1     0.15   0.09   0.07     0.10  -0.10  -0.03    -0.03   0.02  -0.06
    25   1    -0.12  -0.19   0.06     0.14  -0.15  -0.06     0.25   0.26  -0.07
    26   1     0.04  -0.07   0.12    -0.05  -0.02   0.20     0.03  -0.18   0.17
                     19                     20                     21
                      A                      A                      A
 Frequencies --    805.5720               835.8320               917.7812
 Red. masses --      1.5377                 1.8369                 2.9519
 Frc consts  --      0.5880                 0.7561                 1.4650
 IR Inten    --     12.4185                 0.2313                 2.0172
 RamAct Fr= 1--      2.0159                 6.3523                 0.6359
  Dep-P Fr= 1--      0.5268                 0.0709                 0.4446
  Dep-U Fr= 1--      0.6901                 0.1324                 0.6155
 Alpha2 Fr= 1--      0.0087                 0.1194                 0.0040
 Beta2  Fr= 1--      0.2319                 0.1401                 0.0652
 AlphaG Fr= 1--      0.0743                -0.2518                 0.0056
 Gamma2 Fr= 1--      3.6325                -1.6924                -0.7912
 Delta2 Fr= 1--      1.9530                -1.1700                -0.5098
 Raman1 Fr= 1--       8.064                 25.409                  2.543
 ROA1   Fr= 1--     411.213               -199.916                -92.270
 CID1   Fr= 1--      50.995                 -7.868                -36.277
 Raman2 Fr= 1--       2.782                  1.682                  0.783
 ROA2   Fr= 1--      71.556                -31.258                -14.911
 CID2   Fr= 1--      25.718                -18.587                -19.050
 Raman3 Fr= 1--       5.565                  3.364                  1.566
 ROA3   Fr= 1--     411.213               -199.916                -92.270
 CID3   Fr= 1--      73.896                -59.437                -58.939
 RC180  Fr= 1--       0.380                 -0.735                  0.231
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.05  -0.01    -0.01   0.06   0.05     0.04  -0.13  -0.08
     2   6     0.11   0.05   0.03    -0.13  -0.10   0.08    -0.11  -0.02   0.06
     3   6    -0.10  -0.03  -0.03     0.08   0.05  -0.02    -0.04   0.21   0.10
     4   6     0.01  -0.01   0.04     0.01   0.00   0.01     0.02  -0.04  -0.03
     5   6     0.06   0.02   0.01    -0.04  -0.03   0.03    -0.02  -0.05  -0.01
     6   6    -0.05   0.00  -0.05     0.03   0.03  -0.08     0.18  -0.12  -0.08
     7   6    -0.06   0.02  -0.05     0.03  -0.03  -0.06    -0.04   0.08   0.01
     8   6    -0.00   0.02   0.01     0.03   0.00   0.03    -0.03   0.04  -0.02
     9   1     0.07  -0.20   0.09    -0.07   0.36  -0.12    -0.12  -0.27  -0.10
    10   1     0.22   0.10   0.16    -0.23  -0.22  -0.08     0.13   0.09   0.36
    11   1     0.23   0.11  -0.12     0.05   0.06  -0.06    -0.14  -0.01   0.04
    12   1    -0.01   0.03  -0.12    -0.07   0.01  -0.08     0.12   0.08  -0.01
    13   1    -0.12  -0.05  -0.05    -0.21  -0.07  -0.00    -0.08   0.00   0.05
    14   1    -0.20  -0.21   0.12     0.00  -0.14   0.01    -0.12   0.01   0.08
    15   1     0.08   0.19   0.13     0.27   0.03  -0.04    -0.12   0.11   0.07
    16   6     0.01   0.01  -0.02     0.02   0.00  -0.06    -0.02  -0.02   0.02
    17   6     0.01   0.00  -0.00    -0.04   0.02   0.02     0.06   0.04  -0.02
    18   1     0.00  -0.01  -0.05     0.02   0.04  -0.11     0.00   0.05   0.10
    19   1    -0.01  -0.01   0.01     0.00   0.03  -0.06     0.04   0.05  -0.10
    20   1     0.00  -0.00  -0.06    -0.01   0.01  -0.01     0.00   0.02   0.11
    21   1     0.01   0.00  -0.00    -0.08  -0.02   0.01     0.15  -0.15  -0.03
    22   1     0.01  -0.00  -0.00    -0.12  -0.01   0.01    -0.25  -0.03   0.05
    23   1     0.01   0.00  -0.00     0.03  -0.03  -0.01     0.23  -0.14  -0.01
    24   1    -0.10   0.10   0.15     0.09   0.08   0.01    -0.21   0.16   0.06
    25   1    -0.12  -0.22   0.06     0.20  -0.01  -0.05    -0.15   0.27   0.12
    26   1     0.15  -0.19   0.61     0.28  -0.10   0.56     0.15  -0.18  -0.06
                     22                     23                     24
                      A                      A                      A
 Frequencies --    937.4637               953.4522               962.3729
 Red. masses --      1.8776                 1.7582                 1.7249
 Frc consts  --      0.9722                 0.9417                 0.9412
 IR Inten    --      1.2735                 3.2078                 3.5145
 RamAct Fr= 1--      0.5070                 2.5112                 5.3254
  Dep-P Fr= 1--      0.6261                 0.4269                 0.7391
  Dep-U Fr= 1--      0.7701                 0.5984                 0.8500
 Alpha2 Fr= 1--      0.0011                 0.0168                 0.0010
 Beta2  Fr= 1--      0.0651                 0.2504                 0.7544
 AlphaG Fr= 1--      0.0161                 0.0854                 0.0107
 Gamma2 Fr= 1--      0.3562                -0.5409                 1.5184
 Delta2 Fr= 1--      0.0633                -0.5290                 0.8468
 Raman1 Fr= 1--       2.028                 10.045                 21.302
 ROA1   Fr= 1--      36.224                -68.851                172.869
 CID1   Fr= 1--      17.861                 -6.854                  8.115
 Raman2 Fr= 1--       0.781                  3.005                  9.053
 ROA2   Fr= 1--       8.043                 -8.749                 29.668
 CID2   Fr= 1--      10.300                 -2.911                  3.277
 Raman3 Fr= 1--       1.562                  6.011                 18.106
 ROA3   Fr= 1--      36.224                -68.851                172.869
 CID3   Fr= 1--      23.195                -11.455                  9.548
 RC180  Fr= 1--       0.540                  0.197                  0.700
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07  -0.01  -0.00    -0.03  -0.03  -0.06     0.03  -0.06   0.02
     2   6     0.04  -0.09  -0.01     0.10  -0.01   0.01     0.01   0.05  -0.01
     3   6    -0.02   0.12  -0.07     0.04  -0.03   0.13     0.01   0.04  -0.04
     4   6     0.05  -0.07  -0.00    -0.00  -0.02  -0.05     0.01   0.01   0.02
     5   6     0.03  -0.07  -0.01     0.02  -0.02  -0.04    -0.01  -0.01   0.04
     6   6    -0.10  -0.01   0.02    -0.12   0.02   0.00     0.01   0.02  -0.10
     7   6     0.06   0.09   0.05     0.05   0.02  -0.00     0.02  -0.05   0.13
     8   6     0.03   0.02   0.04     0.01   0.04  -0.06    -0.03   0.01  -0.08
     9   1    -0.00  -0.18   0.11    -0.27   0.15  -0.26     0.08  -0.03   0.03
    10   1     0.00  -0.20  -0.12     0.03  -0.12  -0.13    -0.31   0.08  -0.29
    11   1    -0.18   0.10   0.02    -0.23  -0.02   0.09     0.12   0.07  -0.07
    12   1     0.35   0.26  -0.09     0.22   0.13   0.01    -0.08  -0.02  -0.06
    13   1    -0.32   0.01   0.12     0.00   0.07   0.07    -0.14  -0.07  -0.02
    14   1     0.14   0.19  -0.03     0.04   0.04  -0.01    -0.17   0.39  -0.03
    15   1     0.13  -0.02  -0.10     0.16  -0.01  -0.06    -0.08  -0.34  -0.22
    16   6     0.03   0.03  -0.03    -0.04  -0.00   0.07    -0.05   0.01   0.08
    17   6    -0.02  -0.01   0.02    -0.01   0.03  -0.02     0.01  -0.03  -0.06
    18   1    -0.00  -0.04  -0.13    -0.02  -0.04   0.19    -0.04  -0.08   0.22
    19   1    -0.06  -0.06   0.15     0.02  -0.02   0.05     0.02  -0.06   0.09
    20   1    -0.00  -0.02  -0.17     0.04  -0.01   0.00     0.04  -0.02  -0.07
    21   1    -0.10   0.06   0.01     0.08  -0.05  -0.01     0.27   0.02   0.01
    22   1     0.07   0.00  -0.03    -0.15   0.01   0.04     0.08   0.03   0.08
    23   1    -0.02   0.03  -0.01     0.01  -0.04   0.03    -0.24   0.06   0.10
    24   1     0.11   0.28   0.15    -0.18  -0.29  -0.20     0.01   0.14   0.09
    25   1    -0.10  -0.19   0.09     0.03   0.38  -0.04     0.03  -0.11   0.01
    26   1    -0.28  -0.14  -0.13    -0.03  -0.15   0.41     0.14  -0.02   0.19
                     25                     26                     27
                      A                      A                      A
 Frequencies --    975.4490               996.2290              1017.0045
 Red. masses --      1.3716                 1.5196                 1.7075
 Frc consts  --      0.7689                 0.8886                 1.0406
 IR Inten    --      3.1744                 3.8415                 2.2438
 RamAct Fr= 1--      1.6628                 1.4516                 3.6417
  Dep-P Fr= 1--      0.7277                 0.5866                 0.5919
  Dep-U Fr= 1--      0.8424                 0.7395                 0.7437
 Alpha2 Fr= 1--      0.0006                 0.0044                 0.0107
 Beta2  Fr= 1--      0.2334                 0.1789                 0.4514
 AlphaG Fr= 1--      0.0036                 0.0162                 0.0774
 Gamma2 Fr= 1--      0.1123                 0.2702                -3.5411
 Delta2 Fr= 1--     -0.1787                 0.3046                -1.2414
 Raman1 Fr= 1--       6.651                  5.807                 14.567
 ROA1   Fr= 1--       5.063                 35.685               -379.673
 CID1   Fr= 1--       0.761                  6.146                -26.064
 Raman2 Fr= 1--       2.801                  2.147                  5.416
 ROA2   Fr= 1--       4.124                  4.048                -75.056
 CID2   Fr= 1--       1.472                  1.886                -13.857
 Raman3 Fr= 1--       5.603                  4.294                 10.833
 ROA3   Fr= 1--       5.063                 35.685               -379.673
 CID3   Fr= 1--       0.904                  8.311                -35.048
 RC180  Fr= 1--       0.685                  0.479                  0.487
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.01    -0.08   0.07   0.03    -0.01   0.05  -0.08
     2   6    -0.00   0.00   0.01    -0.07  -0.02   0.02    -0.04  -0.03  -0.08
     3   6     0.01   0.00   0.01     0.05  -0.03   0.00    -0.00  -0.02   0.07
     4   6     0.00   0.00  -0.00     0.02   0.00  -0.01    -0.00  -0.01   0.01
     5   6    -0.00  -0.00  -0.00    -0.01  -0.02  -0.01    -0.02   0.04  -0.02
     6   6    -0.01   0.01  -0.01    -0.02   0.05   0.00     0.00   0.00  -0.10
     7   6     0.01  -0.01   0.01     0.03  -0.03  -0.01    -0.00   0.02   0.11
     8   6    -0.07   0.01   0.03    -0.08   0.02  -0.00     0.05  -0.02   0.05
     9   1     0.01   0.02   0.01     0.14  -0.38   0.35     0.08  -0.29   0.11
    10   1    -0.01  -0.02  -0.02     0.24   0.16   0.43     0.05   0.14   0.11
    11   1    -0.01   0.00   0.00    -0.11  -0.02   0.04    -0.02  -0.10   0.04
    12   1     0.01   0.01  -0.00     0.06   0.04   0.01    -0.11  -0.10   0.08
    13   1    -0.01   0.00   0.00    -0.03   0.02   0.04     0.23   0.04  -0.04
    14   1    -0.01   0.03  -0.01     0.17  -0.02  -0.07    -0.00   0.28  -0.03
    15   1     0.01  -0.04  -0.03     0.14  -0.05  -0.07    -0.12  -0.18  -0.12
    16   6    -0.09   0.03  -0.07    -0.01   0.02  -0.01     0.07   0.01  -0.02
    17   6     0.09  -0.03   0.06     0.07  -0.01  -0.08    -0.03  -0.03   0.07
    18   1    -0.00  -0.10   0.50    -0.01  -0.03   0.06     0.02   0.01  -0.29
    19   1     0.26  -0.04  -0.30     0.01  -0.02   0.01    -0.11  -0.02   0.17
    20   1     0.28   0.04  -0.30     0.02   0.00  -0.08    -0.09  -0.02  -0.01
    21   1    -0.35   0.08  -0.02     0.42  -0.06  -0.01    -0.34   0.11   0.02
    22   1     0.28  -0.05  -0.21     0.02   0.02   0.12     0.18  -0.01  -0.12
    23   1     0.28   0.02  -0.20    -0.09  -0.02   0.12     0.05   0.05  -0.10
    24   1    -0.01  -0.01  -0.01     0.16  -0.09  -0.09     0.07  -0.15  -0.13
    25   1     0.02   0.02  -0.01     0.11   0.04  -0.05    -0.09   0.18   0.02
    26   1     0.02  -0.00   0.05     0.03   0.02   0.13     0.10  -0.18   0.34
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1034.6888              1056.4474              1074.6046
 Red. masses --      1.5421                 1.5889                 1.4831
 Frc consts  --      0.9727                 1.0448                 1.0090
 IR Inten    --      0.2628                 1.8168                 0.2871
 RamAct Fr= 1--      1.3752                 3.8290                 1.4847
  Dep-P Fr= 1--      0.5820                 0.2891                 0.6039
  Dep-U Fr= 1--      0.7358                 0.4485                 0.7530
 Alpha2 Fr= 1--      0.0043                 0.0406                 0.0040
 Beta2  Fr= 1--      0.1686                 0.2862                 0.1863
 AlphaG Fr= 1--      0.0021                 0.0189                -0.0426
 Gamma2 Fr= 1--     -0.9640                -0.4189                 1.9867
 Delta2 Fr= 1--     -0.4819                -0.2753                 0.8582
 Raman1 Fr= 1--       5.501                 15.316                  5.939
 ROA1   Fr= 1--    -107.970                -49.029                218.188
 CID1   Fr= 1--     -19.628                 -3.201                 36.740
 Raman2 Fr= 1--       2.024                  3.435                  2.236
 ROA2   Fr= 1--     -19.282                 -7.852                 40.817
 CID2   Fr= 1--      -9.528                 -2.286                 18.254
 Raman3 Fr= 1--       4.047                  6.870                  4.472
 ROA3   Fr= 1--    -107.970                -49.029                218.188
 CID3   Fr= 1--     -26.677                 -7.137                 48.788
 RC180  Fr= 1--       0.472                 -0.103                  0.506
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.03   0.05    -0.04   0.00   0.00    -0.00  -0.01   0.02
     2   6    -0.02   0.04  -0.08     0.05  -0.08   0.00     0.02   0.01   0.03
     3   6    -0.05  -0.02  -0.02     0.05   0.05  -0.02    -0.01   0.02  -0.06
     4   6    -0.01  -0.01   0.00    -0.05  -0.04  -0.00     0.04  -0.03   0.12
     5   6     0.04  -0.02   0.01    -0.00   0.12   0.04    -0.04   0.03  -0.13
     6   6    -0.05   0.02  -0.03    -0.05  -0.08  -0.00    -0.00   0.01  -0.02
     7   6     0.06  -0.03   0.06     0.02   0.07   0.02    -0.01  -0.00  -0.02
     8   6     0.00  -0.01   0.00    -0.01   0.01  -0.00    -0.01   0.00   0.00
     9   1     0.01  -0.01   0.07    -0.10  -0.17   0.05     0.11  -0.04   0.10
    10   1     0.07   0.10   0.05     0.08  -0.27  -0.10    -0.16  -0.10  -0.21
    11   1     0.04   0.09  -0.04     0.39  -0.03  -0.09    -0.41  -0.30   0.22
    12   1     0.11   0.09  -0.07    -0.40  -0.25   0.05     0.10  -0.05   0.25
    13   1    -0.15  -0.03   0.02     0.28  -0.05  -0.18     0.47   0.23   0.07
    14   1     0.15   0.17  -0.09     0.01   0.06   0.02    -0.08  -0.04   0.03
    15   1    -0.03  -0.17  -0.10     0.04   0.03  -0.02     0.03   0.03   0.02
    16   6    -0.01  -0.11  -0.02    -0.03  -0.01  -0.00    -0.02  -0.03  -0.01
    17   6     0.02   0.08   0.03     0.01   0.05  -0.02     0.01   0.02  -0.01
    18   1     0.05   0.20   0.00    -0.00   0.01   0.11     0.01   0.05   0.04
    19   1     0.07   0.19  -0.40     0.05   0.01  -0.09     0.03   0.05  -0.13
    20   1    -0.04   0.04   0.47     0.04   0.01   0.01     0.01   0.01   0.10
    21   1    -0.07  -0.15  -0.03     0.13  -0.09  -0.02     0.06  -0.04  -0.01
    22   1    -0.34  -0.03  -0.01    -0.21   0.00   0.05    -0.10   0.00   0.03
    23   1     0.34  -0.16  -0.06     0.10  -0.09   0.03     0.04  -0.04   0.01
    24   1    -0.06   0.02   0.05     0.21   0.03  -0.06     0.18   0.10   0.04
    25   1     0.02  -0.08  -0.02     0.20  -0.02  -0.06    -0.16  -0.13   0.08
    26   1    -0.02   0.01   0.05    -0.21  -0.25  -0.03     0.08  -0.01   0.15
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1101.9875              1126.9741              1167.7442
 Red. masses --      1.6220                 1.5320                 2.1875
 Frc consts  --      1.1605                 1.1464                 1.7575
 IR Inten    --      1.2348                 0.9867                 1.9822
 RamAct Fr= 1--      2.9104                 2.0567                 2.3132
  Dep-P Fr= 1--      0.5764                 0.5710                 0.7392
  Dep-U Fr= 1--      0.7313                 0.7269                 0.8500
 Alpha2 Fr= 1--      0.0095                 0.0069                 0.0004
 Beta2  Fr= 1--      0.3547                 0.2492                 0.3277
 AlphaG Fr= 1--      0.0026                 0.0143                 0.0047
 Gamma2 Fr= 1--     -0.1345                 0.0592                -2.2844
 Delta2 Fr= 1--      0.1501                -0.1279                -0.9833
 Raman1 Fr= 1--      11.642                  8.227                  9.253
 ROA1   Fr= 1--      -8.108                  1.589               -250.763
 CID1   Fr= 1--      -0.696                  0.193                -27.101
 Raman2 Fr= 1--       4.257                  2.990                  3.933
 ROA2   Fr= 1--      -4.428                  2.444                -46.958
 CID2   Fr= 1--      -1.040                  0.817                -11.941
 Raman3 Fr= 1--       8.513                  5.981                  7.865
 ROA3   Fr= 1--      -8.108                  1.589               -250.763
 CID3   Fr= 1--      -0.952                  0.266                -31.882
 RC180  Fr= 1--       0.463                  0.454                  0.700
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.11  -0.02   0.07     0.07   0.05  -0.06    -0.09  -0.07   0.03
     2   6    -0.08   0.01  -0.06    -0.03   0.01   0.07     0.04   0.00  -0.02
     3   6    -0.06   0.02  -0.01    -0.05   0.00   0.05     0.04   0.03  -0.04
     4   6    -0.03  -0.05   0.06    -0.04  -0.03  -0.02     0.18   0.02  -0.03
     5   6     0.02   0.05  -0.03     0.02   0.02   0.01    -0.09   0.00   0.02
     6   6    -0.06  -0.04  -0.03    -0.02  -0.05   0.01    -0.00   0.04   0.00
     7   6     0.07   0.01   0.01     0.05   0.02  -0.04    -0.04  -0.04   0.01
     8   6    -0.00  -0.00   0.00     0.02   0.08   0.02     0.03   0.16   0.00
     9   1    -0.11   0.49  -0.27     0.39  -0.10   0.17    -0.44   0.01  -0.17
    10   1     0.31   0.14   0.39    -0.35   0.08  -0.17     0.18   0.11   0.17
    11   1     0.01  -0.08   0.03     0.10   0.02  -0.03    -0.06  -0.08   0.04
    12   1    -0.00  -0.04   0.07    -0.03  -0.01  -0.02    -0.24  -0.16   0.06
    13   1     0.22   0.07  -0.03     0.03  -0.02  -0.04    -0.02  -0.03  -0.02
    14   1     0.29   0.05  -0.10     0.20  -0.08  -0.06     0.05  -0.04  -0.03
    15   1     0.05  -0.04  -0.06     0.33   0.03  -0.08    -0.02  -0.04   0.01
    16   6    -0.01   0.03   0.00    -0.02  -0.06  -0.01    -0.00  -0.08  -0.00
    17   6    -0.01  -0.03  -0.03    -0.02  -0.07  -0.02    -0.01  -0.08   0.01
    18   1    -0.02  -0.07   0.05     0.02   0.12   0.07     0.04   0.19  -0.02
    19   1     0.00  -0.06   0.09     0.05   0.10  -0.22    -0.01   0.15  -0.22
    20   1     0.04  -0.01  -0.16     0.02   0.03   0.22    -0.03   0.02   0.33
    21   1     0.08   0.03   0.01     0.06   0.13   0.03    -0.07   0.18   0.04
    22   1     0.10   0.01   0.03     0.24   0.02   0.04     0.31   0.01  -0.03
    23   1    -0.16   0.05   0.05    -0.25   0.12   0.03    -0.20   0.15  -0.03
    24   1    -0.10   0.09   0.09    -0.16  -0.04   0.01    -0.08   0.08   0.06
    25   1    -0.01  -0.10   0.02    -0.21   0.11   0.07     0.08  -0.04  -0.03
    26   1    -0.12  -0.18   0.06    -0.14  -0.17  -0.02    -0.16  -0.15   0.00
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1175.2664              1181.0463              1228.3775
 Red. masses --      1.8258                 2.0225                 1.9037
 Frc consts  --      1.4858                 1.6622                 1.6924
 IR Inten    --      4.6270                 1.4429                 2.3664
 RamAct Fr= 1--      1.9657                 3.5217                 2.9230
  Dep-P Fr= 1--      0.6388                 0.6356                 0.4258
  Dep-U Fr= 1--      0.7796                 0.7772                 0.5973
 Alpha2 Fr= 1--      0.0040                 0.0073                 0.0197
 Beta2  Fr= 1--      0.2554                 0.4562                 0.2910
 AlphaG Fr= 1--     -0.0100                -0.0114                 0.0272
 Gamma2 Fr= 1--      3.3550                -0.3276                -0.5570
 Delta2 Fr= 1--      2.7423                -0.1742                -0.3247
 Raman1 Fr= 1--       7.863                 14.087                 11.692
 ROA1   Fr= 1--     409.830                -37.027                -63.866
 CID1   Fr= 1--      52.123                 -2.628                 -5.462
 Raman2 Fr= 1--       3.065                  5.474                  3.492
 ROA2   Fr= 1--      58.581                 -6.470                -10.771
 CID2   Fr= 1--      19.114                 -1.182                 -3.085
 Raman3 Fr= 1--       6.130                 10.948                  6.983
 ROA3   Fr= 1--     409.830                -37.027                -63.866
 CID3   Fr= 1--      66.861                 -3.382                 -9.146
 RC180  Fr= 1--       0.559                  0.554                  0.195
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.03   0.02    -0.06  -0.12  -0.00     0.02   0.06   0.01
     2   6    -0.00   0.07   0.02    -0.05   0.13   0.07    -0.01  -0.07  -0.04
     3   6    -0.03   0.01   0.01     0.05   0.03  -0.03    -0.06  -0.02  -0.01
     4   6     0.17   0.00  -0.05    -0.10  -0.04   0.04    -0.02  -0.00   0.03
     5   6    -0.08   0.01   0.03     0.04   0.03  -0.02     0.01  -0.01  -0.02
     6   6    -0.01   0.01   0.02    -0.03  -0.03   0.02     0.05   0.01   0.03
     7   6     0.00  -0.05  -0.03     0.08  -0.01  -0.05    -0.05   0.03   0.00
     8   6    -0.01  -0.12  -0.05    -0.05   0.01  -0.09     0.20  -0.02  -0.06
     9   1     0.03  -0.06   0.07    -0.29  -0.26  -0.06    -0.25  -0.29   0.03
    10   1    -0.22   0.27  -0.04    -0.26   0.35   0.03    -0.07   0.36   0.20
    11   1    -0.02  -0.07   0.03     0.06   0.00  -0.01    -0.05  -0.02   0.01
    12   1    -0.25  -0.16   0.05     0.08   0.05   0.01     0.08   0.03   0.02
    13   1    -0.02  -0.04  -0.03     0.11   0.03  -0.01     0.02   0.03   0.03
    14   1     0.20  -0.09  -0.09     0.10  -0.05  -0.03    -0.26   0.02   0.09
    15   1     0.29  -0.03  -0.08     0.33   0.01  -0.09     0.39   0.02  -0.12
    16   6     0.01   0.05   0.02     0.05  -0.01   0.04    -0.08   0.01   0.02
    17   6     0.01   0.06   0.03     0.03  -0.02   0.07    -0.07   0.01   0.01
    18   1    -0.03  -0.12  -0.02     0.01   0.01  -0.18    -0.03  -0.05   0.32
    19   1    -0.02  -0.09   0.18    -0.12   0.02   0.16     0.13  -0.08  -0.07
    20   1    -0.02  -0.02  -0.18    -0.14  -0.03   0.08     0.16   0.04  -0.02
    21   1    -0.09  -0.12  -0.02    -0.26   0.05   0.01    -0.10   0.03   0.01
    22   1    -0.23  -0.02  -0.04     0.10  -0.05  -0.14    -0.12   0.01   0.04
    23   1     0.21  -0.10  -0.03     0.14   0.03  -0.12    -0.13   0.03   0.04
    24   1    -0.23   0.06   0.10     0.19   0.02  -0.05     0.04  -0.01  -0.00
    25   1    -0.16   0.04   0.06     0.30  -0.08  -0.09     0.30  -0.12  -0.13
    26   1    -0.31  -0.35  -0.01     0.06   0.12  -0.02    -0.01   0.02  -0.07
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1248.5183              1258.0047              1330.5241
 Red. masses --      1.1761                 1.1570                 1.7353
 Frc consts  --      1.0802                 1.0788                 1.8099
 IR Inten    --      1.0034                 2.8588                 1.2728
 RamAct Fr= 1--      1.1336                 3.8263                 0.8057
  Dep-P Fr= 1--      0.6811                 0.7428                 0.3705
  Dep-U Fr= 1--      0.8103                 0.8524                 0.5407
 Alpha2 Fr= 1--      0.0014                 0.0005                 0.0066
 Beta2  Fr= 1--      0.1531                 0.5436                 0.0726
 AlphaG Fr= 1--     -0.0429                 0.0156                -0.0045
 Gamma2 Fr= 1--      1.9444                -0.6140                -0.1086
 Delta2 Fr= 1--      0.6121                -0.0339                 0.0421
 Raman1 Fr= 1--       4.534                 15.305                  3.223
 ROA1   Fr= 1--     206.253                -60.026                 -9.084
 CID1   Fr= 1--      45.486                 -3.922                 -2.819
 Raman2 Fr= 1--       1.837                  6.523                  0.871
 ROA2   Fr= 1--      41.769                -14.465                 -2.944
 CID2   Fr= 1--      22.736                 -2.217                 -3.379
 Raman3 Fr= 1--       3.674                 13.046                  1.743
 ROA3   Fr= 1--     206.253                -60.026                 -9.084
 CID3   Fr= 1--      56.136                 -4.601                 -5.213
 RC180  Fr= 1--       0.621                  0.705                  0.081
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02  -0.03     0.01  -0.04   0.05     0.03  -0.02  -0.03
     2   6     0.02  -0.00   0.07     0.01   0.01   0.02     0.07  -0.03  -0.03
     3   6    -0.01  -0.00  -0.01    -0.01   0.01  -0.01    -0.08   0.00   0.04
     4   6    -0.00  -0.01   0.03    -0.02   0.01  -0.05    -0.03   0.05   0.03
     5   6     0.00  -0.00  -0.00     0.01  -0.01   0.02     0.01  -0.03  -0.01
     6   6    -0.01   0.02  -0.05     0.00   0.01  -0.01     0.08   0.04  -0.01
     7   6    -0.02   0.00  -0.01    -0.01  -0.00  -0.01    -0.07  -0.01   0.02
     8   6     0.05  -0.02  -0.01     0.05  -0.01   0.01    -0.10  -0.00   0.13
     9   1    -0.09  -0.18   0.02    -0.17  -0.01  -0.05    -0.10   0.12  -0.16
    10   1    -0.14   0.04  -0.04    -0.10   0.16   0.03    -0.27   0.29  -0.13
    11   1     0.00  -0.01  -0.00     0.02   0.05  -0.02    -0.04   0.04  -0.01
    12   1     0.03   0.01   0.01    -0.01   0.02  -0.07     0.09   0.05  -0.00
    13   1     0.01   0.01   0.01    -0.04  -0.04  -0.02    -0.01   0.04   0.06
    14   1     0.62  -0.08  -0.21     0.22  -0.03  -0.08     0.10   0.02  -0.06
    15   1    -0.53   0.07   0.20    -0.12   0.03   0.06     0.17   0.00  -0.02
    16   6    -0.02   0.01   0.00    -0.02   0.00  -0.00     0.02  -0.00  -0.02
    17   6    -0.02   0.00  -0.00    -0.01   0.01  -0.01     0.02   0.00  -0.04
    18   1    -0.01  -0.02   0.08    -0.01  -0.01   0.07     0.01   0.04  -0.17
    19   1     0.04  -0.03  -0.01     0.05  -0.02  -0.05     0.01   0.08  -0.10
    20   1     0.05   0.02  -0.04     0.06   0.01  -0.02    -0.02  -0.03  -0.10
    21   1    -0.02   0.01   0.00    -0.01   0.00  -0.00     0.17  -0.03  -0.00
    22   1    -0.04   0.00   0.02    -0.06   0.00   0.03     0.06   0.04   0.07
    23   1    -0.05   0.01   0.02    -0.05   0.00   0.04     0.04  -0.08   0.04
    24   1    -0.20   0.03   0.06     0.66  -0.10  -0.23     0.26  -0.11  -0.14
    25   1     0.27  -0.07  -0.11    -0.51   0.07   0.19     0.46  -0.11  -0.16
    26   1     0.05   0.02   0.04     0.00  -0.04   0.07    -0.26  -0.36  -0.02
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1342.0938              1367.2680              1382.7179
 Red. masses --      1.6989                 1.5152                 1.8457
 Frc consts  --      1.8029                 1.6689                 2.0791
 IR Inten    --      0.4319                 2.4702                 1.0211
 RamAct Fr= 1--      9.1657                 3.1668                 2.6872
  Dep-P Fr= 1--      0.2900                 0.6327                 0.6720
  Dep-U Fr= 1--      0.4496                 0.7750                 0.8038
 Alpha2 Fr= 1--      0.0969                 0.0067                 0.0037
 Beta2  Fr= 1--      0.6868                 0.4091                 0.3600
 AlphaG Fr= 1--     -0.0098                -0.0001                -0.0058
 Gamma2 Fr= 1--      0.3347                 2.1019                -1.6060
 Delta2 Fr= 1--      0.3424                 1.0105                -1.1191
 Raman1 Fr= 1--      36.663                 12.667                 10.749
 ROA1   Fr= 1--      43.092                234.115               -189.988
 CID1   Fr= 1--       1.175                 18.482                -17.676
 Raman2 Fr= 1--       8.241                  4.909                  4.320
 ROA2   Fr= 1--       5.295                 42.360                -29.592
 CID2   Fr= 1--       0.642                  8.629                 -6.850
 Raman3 Fr= 1--      16.483                  9.818                  8.640
 ROA3   Fr= 1--      43.092                234.115               -189.988
 CID3   Fr= 1--       2.614                 23.846                -21.989
 RC180  Fr= 1--      -0.101                  0.550                  0.608
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.01  -0.04    -0.10  -0.05  -0.01     0.10   0.03  -0.03
     2   6    -0.02   0.05  -0.02     0.01  -0.05  -0.02    -0.09   0.06   0.05
     3   6     0.05  -0.01  -0.02     0.06   0.00  -0.01    -0.12   0.00   0.03
     4   6     0.02  -0.06  -0.02    -0.02   0.03   0.02     0.06   0.02  -0.01
     5   6    -0.00   0.02   0.01     0.01   0.00  -0.00     0.01  -0.00  -0.00
     6   6    -0.05  -0.02   0.02    -0.02  -0.01   0.00    -0.04   0.03   0.02
     7   6     0.04   0.01  -0.00     0.13   0.01  -0.06     0.15  -0.04  -0.05
     8   6     0.00  -0.04   0.20     0.04  -0.02   0.04     0.00   0.00  -0.00
     9   1    -0.51  -0.28  -0.18     0.28   0.23   0.06    -0.21  -0.30  -0.04
    10   1    -0.18   0.15  -0.10    -0.25   0.54   0.13     0.06  -0.33  -0.07
    11   1     0.04  -0.05   0.01    -0.03   0.01   0.01    -0.10  -0.00   0.05
    12   1    -0.06  -0.03   0.02    -0.02  -0.03   0.01    -0.07  -0.07   0.00
    13   1     0.02  -0.03  -0.05    -0.03   0.02   0.02    -0.11   0.00   0.02
    14   1    -0.10   0.07   0.03    -0.36   0.01   0.13    -0.40  -0.02   0.15
    15   1     0.09   0.01  -0.02    -0.41   0.06   0.13    -0.39  -0.03   0.10
    16   6    -0.01   0.01  -0.03    -0.01  -0.00  -0.01     0.00   0.01   0.00
    17   6    -0.01   0.01  -0.06    -0.00   0.01  -0.01    -0.00  -0.02  -0.00
    18   1    -0.02   0.02  -0.13    -0.01   0.02   0.00    -0.01  -0.03  -0.00
    19   1     0.11   0.02  -0.15     0.05  -0.01  -0.05     0.01  -0.01   0.01
    20   1     0.11  -0.00  -0.17     0.06   0.01  -0.02    -0.01   0.00  -0.01
    21   1     0.16  -0.04  -0.01    -0.00   0.01  -0.00    -0.01   0.03   0.00
    22   1     0.02   0.06   0.15    -0.05   0.01   0.06     0.03  -0.00   0.01
    23   1    -0.04  -0.11   0.12    -0.00  -0.03   0.03    -0.05   0.03   0.00
    24   1    -0.27   0.02   0.06    -0.11   0.04   0.06     0.28  -0.09  -0.13
    25   1    -0.17  -0.01   0.07    -0.00   0.07   0.00     0.25  -0.11  -0.09
    26   1     0.24   0.35   0.00    -0.17  -0.18   0.01    -0.22  -0.19   0.02
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1400.2852              1411.6491              1415.8255
 Red. masses --      1.7787                 1.3059                 1.2859
 Frc consts  --      2.0549                 1.5333                 1.5187
 IR Inten    --      0.2450                 5.3974                 2.6824
 RamAct Fr= 1--     10.3612                 0.4779                 7.0458
  Dep-P Fr= 1--      0.4626                 0.3158                 0.3821
  Dep-U Fr= 1--      0.6325                 0.4801                 0.5529
 Alpha2 Fr= 1--      0.0603                 0.0047                 0.0556
 Beta2  Fr= 1--      1.0923                 0.0382                 0.6493
 AlphaG Fr= 1--      0.0173                 0.0014                -0.0136
 Gamma2 Fr= 1--     -2.9615                 0.1198                -0.6294
 Delta2 Fr= 1--     -1.6068                 0.0167                -0.5378
 Raman1 Fr= 1--      41.445                  1.911                 28.183
 ROA1   Fr= 1--    -335.720                 12.032                -77.632
 CID1   Fr= 1--      -8.100                  6.295                 -2.755
 Raman2 Fr= 1--      13.108                  0.459                  7.791
 ROA2   Fr= 1--     -58.221                  2.741                -10.803
 CID2   Fr= 1--      -4.442                  5.973                 -1.387
 Raman3 Fr= 1--      26.215                  0.918                 15.582
 ROA3   Fr= 1--    -335.720                 12.032                -77.632
 CID3   Fr= 1--     -12.806                 13.113                 -4.982
 RC180  Fr= 1--       0.265                 -0.040                  0.106
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.03  -0.01    -0.00   0.00   0.01    -0.00  -0.00  -0.00
     2   6     0.03  -0.06  -0.01    -0.01  -0.00   0.01    -0.01   0.01   0.00
     3   6    -0.13   0.06   0.07     0.00   0.00  -0.01    -0.01   0.01   0.00
     4   6     0.12  -0.11  -0.07    -0.00   0.00   0.00     0.04   0.00  -0.01
     5   6    -0.02   0.03   0.02    -0.01  -0.00   0.00    -0.13  -0.06   0.03
     6   6    -0.08  -0.00   0.02     0.00   0.00  -0.00    -0.01   0.00   0.01
     7   6     0.00   0.03  -0.00     0.00  -0.00  -0.01     0.02  -0.01  -0.01
     8   6    -0.02   0.00  -0.02     0.03   0.00  -0.05     0.01  -0.00   0.01
     9   1     0.30   0.24   0.03     0.03  -0.01   0.04     0.00  -0.01   0.00
    10   1    -0.13   0.23   0.04     0.03  -0.03   0.04     0.01  -0.01   0.00
    11   1     0.06  -0.15   0.05     0.02   0.02  -0.02     0.43   0.20  -0.35
    12   1    -0.08  -0.04   0.02     0.02   0.02  -0.00     0.35   0.38  -0.02
    13   1    -0.01  -0.10  -0.13     0.03   0.01   0.01     0.58   0.08   0.09
    14   1     0.01   0.05  -0.00     0.00  -0.01  -0.00    -0.06  -0.01   0.02
    15   1    -0.03   0.07   0.04    -0.03   0.01   0.01    -0.06  -0.01   0.01
    16   6     0.01  -0.00   0.00    -0.02  -0.01   0.09    -0.00   0.00  -0.00
    17   6    -0.00   0.00   0.01    -0.12   0.02   0.03     0.01  -0.00  -0.00
    18   1     0.01   0.01   0.00    -0.07   0.08  -0.31     0.00   0.01   0.01
    19   1    -0.03   0.02   0.01     0.15   0.14  -0.25     0.00  -0.01   0.01
    20   1    -0.02  -0.01   0.00     0.10  -0.09  -0.30     0.02   0.01   0.00
    21   1     0.03   0.01   0.01     0.42  -0.12   0.11    -0.03   0.01  -0.01
    22   1     0.01  -0.00  -0.02     0.43   0.09  -0.17    -0.03  -0.01   0.02
    23   1     0.05  -0.00  -0.04     0.36  -0.19  -0.23    -0.03   0.01   0.02
    24   1     0.25  -0.08  -0.15     0.01   0.00   0.00    -0.00  -0.03  -0.03
    25   1     0.30  -0.08  -0.07    -0.03  -0.00   0.01     0.01  -0.04   0.01
    26   1     0.38   0.54   0.03    -0.01  -0.02   0.00    -0.02  -0.00   0.01
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1425.2300              1457.9565              1475.1998
 Red. masses --      1.3331                 1.9922                 1.0821
 Frc consts  --      1.5955                 2.4950                 1.3874
 IR Inten    --      1.9052                 0.1254                 3.7206
 RamAct Fr= 1--      3.7256                 9.0637                 3.0886
  Dep-P Fr= 1--      0.1723                 0.1535                 0.5778
  Dep-U Fr= 1--      0.2940                 0.2662                 0.7325
 Alpha2 Fr= 1--      0.0544                 0.1389                 0.0100
 Beta2  Fr= 1--      0.1826                 0.4021                 0.3770
 AlphaG Fr= 1--      0.0124                -0.0005                 0.0181
 Gamma2 Fr= 1--     -0.3135                 1.1269                -1.1029
 Delta2 Fr= 1--     -0.1599                 0.4314                -1.0561
 Raman1 Fr= 1--      14.902                 36.255                 12.355
 ROA1   Fr= 1--     -35.211                121.987               -139.672
 CID1   Fr= 1--      -2.363                  3.365                -11.305
 Raman2 Fr= 1--       2.191                  4.825                  4.525
 ROA2   Fr= 1--      -6.245                 23.594                -18.021
 CID2   Fr= 1--      -2.851                  4.890                 -3.983
 Raman3 Fr= 1--       4.382                  9.649                  9.049
 ROA3   Fr= 1--     -35.211                121.987               -139.672
 CID3   Fr= 1--      -8.036                 12.642                -15.435
 RC180  Fr= 1--      -0.412                 -0.468                  0.465
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.03  -0.02    -0.11  -0.10  -0.06    -0.00  -0.01  -0.01
     2   6    -0.01   0.04  -0.00    -0.06   0.16  -0.01    -0.01   0.01   0.00
     3   6     0.00   0.01   0.00     0.00   0.05   0.03    -0.03  -0.06  -0.01
     4   6     0.00   0.01   0.00     0.01   0.00   0.00     0.01   0.00  -0.00
     5   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.01   0.01   0.00
     6   6    -0.00  -0.00  -0.00     0.01  -0.00  -0.00    -0.00  -0.01  -0.00
     7   6     0.00  -0.01  -0.00    -0.02  -0.05   0.01    -0.00  -0.02  -0.00
     8   6     0.03  -0.02   0.04     0.12  -0.04   0.07     0.01  -0.00   0.01
     9   1     0.02   0.03  -0.02     0.38   0.15   0.06     0.01   0.00  -0.01
    10   1     0.01  -0.03  -0.03     0.28  -0.30  -0.03     0.02  -0.04  -0.01
    11   1     0.00   0.01  -0.01    -0.02  -0.00   0.01     0.07  -0.14   0.02
    12   1     0.00   0.01  -0.00    -0.03  -0.05   0.03     0.09   0.08   0.03
    13   1     0.01   0.00   0.00    -0.05   0.02   0.03    -0.02  -0.08  -0.09
    14   1     0.02  -0.01  -0.01     0.09   0.12  -0.11    -0.00   0.15  -0.08
    15   1     0.03  -0.02  -0.02     0.24   0.03   0.04     0.06   0.10   0.11
    16   6     0.01   0.02  -0.12    -0.05   0.01   0.02    -0.01  -0.01   0.00
    17   6    -0.09   0.02   0.00    -0.00   0.00  -0.03     0.00   0.01  -0.00
    18   1     0.08  -0.10   0.42    -0.07   0.06  -0.22     0.02   0.17  -0.03
    19   1    -0.14  -0.27   0.35     0.26  -0.15  -0.10    -0.04  -0.03   0.05
    20   1    -0.05   0.15   0.43     0.31   0.06  -0.06     0.17   0.02  -0.04
    21   1     0.32  -0.08   0.07    -0.14   0.04  -0.04    -0.03  -0.07  -0.02
    22   1     0.32   0.11  -0.03    -0.09   0.02   0.16     0.02   0.00  -0.02
    23   1     0.25  -0.21  -0.09    -0.10  -0.04   0.14    -0.04  -0.02   0.07
    24   1     0.02   0.00  -0.01     0.04  -0.11  -0.18     0.28   0.34   0.45
    25   1     0.04   0.01  -0.02     0.21  -0.15   0.01     0.06   0.57  -0.28
    26   1    -0.01  -0.01  -0.00    -0.02  -0.04  -0.01     0.00  -0.00   0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1479.7610              1480.4570              1487.1854
 Red. masses --      1.0494                 1.0857                 1.0477
 Frc consts  --      1.3538                 1.4020                 1.3653
 IR Inten    --      7.4788                 3.3042                 2.7205
 RamAct Fr= 1--      6.8582                22.3126                 8.8371
  Dep-P Fr= 1--      0.5536                 0.5213                 0.6742
  Dep-U Fr= 1--      0.7126                 0.6854                 0.8054
 Alpha2 Fr= 1--      0.0257                 0.0994                 0.0119
 Beta2  Fr= 1--      0.8146                 2.5487                 1.1862
 AlphaG Fr= 1--      0.0441                -0.1029                 0.0500
 Gamma2 Fr= 1--      0.6056                 3.4355                -4.4014
 Delta2 Fr= 1--      2.3435                 1.4188                -2.8447
 Raman1 Fr= 1--      27.433                 89.250                 35.348
 ROA1   Fr= 1--     133.135                375.215               -513.562
 CID1   Fr= 1--       4.853                  4.204                -14.529
 Raman2 Fr= 1--       9.775                 30.584                 14.235
 ROA2   Fr= 1--      -4.212                 71.102                -82.875
 CID2   Fr= 1--      -0.431                  2.325                 -5.822
 Raman3 Fr= 1--      19.550                 61.168                 28.470
 ROA3   Fr= 1--     133.135                375.215               -513.562
 CID3   Fr= 1--       6.810                  6.134                -18.039
 RC180  Fr= 1--       0.425                  0.371                  0.611
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.01   0.02   0.01     0.00   0.00   0.00
     2   6     0.00   0.00  -0.00    -0.00  -0.02   0.00    -0.00   0.00  -0.00
     3   6    -0.00  -0.01   0.00     0.01   0.01   0.00     0.00  -0.01  -0.00
     4   6    -0.00   0.01  -0.02    -0.01  -0.01  -0.01    -0.00  -0.00   0.00
     5   6    -0.02   0.01  -0.05    -0.00   0.01  -0.02    -0.01   0.01   0.01
     6   6    -0.00  -0.00  -0.00     0.00   0.01   0.00     0.00   0.00   0.00
     7   6    -0.00   0.03   0.01     0.00  -0.06  -0.02    -0.00  -0.02  -0.00
     8   6    -0.00  -0.00   0.00    -0.01   0.00  -0.01    -0.00  -0.01  -0.00
     9   1    -0.00   0.01  -0.00    -0.03  -0.03   0.01    -0.02  -0.01   0.00
    10   1    -0.00   0.00  -0.01    -0.01   0.01   0.02     0.01  -0.01   0.00
    11   1     0.38  -0.19  -0.14     0.16  -0.07  -0.06     0.02  -0.09   0.03
    12   1     0.20  -0.17   0.61     0.07  -0.07   0.24     0.05   0.06  -0.02
    13   1    -0.36   0.20   0.23    -0.13   0.08   0.10     0.00  -0.07  -0.09
    14   1     0.03  -0.21   0.10    -0.08   0.53  -0.25    -0.01   0.14  -0.07
    15   1    -0.06  -0.14  -0.17     0.13   0.37   0.45     0.05   0.09   0.11
    16   6    -0.00   0.01   0.00     0.01  -0.01  -0.01     0.01   0.02   0.00
    17   6    -0.00  -0.00  -0.00    -0.00   0.01   0.01    -0.01  -0.05  -0.01
    18   1    -0.02  -0.06  -0.04     0.05   0.08   0.12    -0.06  -0.28  -0.04
    19   1     0.07  -0.03  -0.02    -0.15   0.09   0.04     0.15  -0.03  -0.09
    20   1    -0.02   0.01   0.03    -0.04  -0.03  -0.06    -0.19  -0.01   0.07
    21   1     0.01   0.05   0.01     0.01  -0.09  -0.01     0.13   0.60   0.12
    22   1    -0.02   0.00   0.04     0.03  -0.01  -0.09    -0.19   0.02   0.38
    23   1     0.02   0.00  -0.03    -0.02   0.01   0.02     0.22   0.07  -0.36
    24   1     0.05   0.01   0.01    -0.09  -0.09  -0.12     0.02   0.04   0.06
    25   1    -0.02   0.05  -0.01    -0.06  -0.14   0.09    -0.01   0.07  -0.03
    26   1     0.02   0.01   0.01    -0.03  -0.03   0.00    -0.02  -0.02  -0.00
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1493.1326              1493.9769              1509.6957
 Red. masses --      1.0620                 1.0549                 1.0475
 Frc consts  --      1.3951                 1.3873                 1.4067
 IR Inten    --     11.8236                 4.9314                 1.6255
 RamAct Fr= 1--     12.1937                 0.8269                 1.3497
  Dep-P Fr= 1--      0.5089                 0.7493                 0.7149
  Dep-U Fr= 1--      0.6745                 0.8567                 0.8338
 Alpha2 Fr= 1--      0.0577                 0.0000                 0.0008
 Beta2  Fr= 1--      1.3708                 0.1181                 0.1876
 AlphaG Fr= 1--      0.0128                -0.0001                 0.0034
 Gamma2 Fr= 1--      1.0309                -0.1259                 0.7328
 Delta2 Fr= 1--      1.0086                -0.2373                 0.7125
 Raman1 Fr= 1--      48.775                  3.307                  5.399
 ROA1   Fr= 1--     131.245                -19.678                 93.149
 CID1   Fr= 1--       2.691                 -5.950                 17.253
 Raman2 Fr= 1--      16.449                  1.417                  2.251
 ROA2   Fr= 1--      16.674                 -1.122                 11.887
 CID2   Fr= 1--       1.014                 -0.792                  5.281
 Raman3 Fr= 1--      32.899                  2.833                  4.502
 ROA3   Fr= 1--     131.245                -19.678                 93.149
 CID3   Fr= 1--       3.989                 -6.945                 20.693
 RC180  Fr= 1--       0.349                  0.713                  0.668
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.01   0.01   0.00     0.01   0.01   0.00
     2   6     0.00  -0.00  -0.00     0.01  -0.01  -0.00    -0.00   0.00   0.00
     3   6    -0.02  -0.01   0.00     0.00  -0.00   0.00     0.01   0.01   0.00
     4   6     0.02  -0.01  -0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
     5   6     0.03  -0.04  -0.02     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     6   6    -0.02  -0.03  -0.00    -0.00  -0.00   0.00     0.01   0.00  -0.00
     7   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.01   0.00
     8   6    -0.00  -0.00  -0.00    -0.02   0.00   0.02    -0.01  -0.03  -0.01
     9   1     0.01   0.01  -0.00    -0.05  -0.01  -0.02    -0.02  -0.01   0.00
    10   1    -0.01   0.01   0.00    -0.04   0.04  -0.01     0.01  -0.01  -0.00
    11   1    -0.14   0.56  -0.18    -0.02   0.06  -0.02     0.01  -0.06   0.02
    12   1    -0.28  -0.30  -0.00    -0.03  -0.03  -0.01     0.03   0.02   0.01
    13   1     0.09   0.38   0.44     0.01   0.04   0.05    -0.03  -0.03  -0.03
    14   1     0.02   0.05  -0.03    -0.02   0.04  -0.01     0.00  -0.09   0.05
    15   1     0.04   0.04   0.03     0.01   0.03   0.03    -0.03  -0.06  -0.07
    16   6     0.00  -0.00   0.00    -0.03   0.01  -0.01    -0.01  -0.04  -0.01
    17   6    -0.00  -0.01  -0.01     0.01  -0.01   0.04    -0.00  -0.02  -0.00
    18   1     0.01   0.04   0.03    -0.05   0.06  -0.23     0.13   0.60   0.11
    19   1    -0.04   0.03   0.00     0.20  -0.31   0.12    -0.35   0.07   0.22
    20   1    -0.00  -0.01  -0.04     0.30   0.13   0.20     0.39   0.01  -0.19
    21   1    -0.01   0.13   0.01     0.30  -0.05   0.08     0.05   0.29   0.06
    22   1    -0.01   0.02   0.12    -0.26  -0.18  -0.39    -0.10   0.01   0.20
    23   1     0.06  -0.03  -0.04    -0.11   0.40  -0.31     0.13   0.01  -0.17
    24   1     0.08   0.08   0.10    -0.02  -0.01  -0.01    -0.04  -0.06  -0.08
    25   1     0.03   0.13  -0.07    -0.01  -0.01   0.01    -0.01  -0.09   0.05
    26   1     0.09   0.10  -0.00     0.01   0.01  -0.00    -0.01  -0.02   0.00
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1515.6523              1745.6560              2981.6987
 Red. masses --      1.1888                 6.6028                 1.0696
 Frc consts  --      1.6090                11.8549                 5.6027
 IR Inten    --      1.7812                 1.3205                33.3609
 RamAct Fr= 1--      3.6957                57.6924               105.4477
  Dep-P Fr= 1--      0.7344                 0.1485                 0.1618
  Dep-U Fr= 1--      0.8468                 0.2586                 0.2785
 Alpha2 Fr= 1--      0.0010                 0.8952                 1.5820
 Beta2  Fr= 1--      0.5216                 2.4866                 4.8943
 AlphaG Fr= 1--     -0.0005                -0.0947                 0.3238
 Gamma2 Fr= 1--      0.3397                -0.1622                -1.0589
 Delta2 Fr= 1--      0.4427                -0.2930                -2.0608
 Raman1 Fr= 1--      14.783                230.769                421.791
 ROA1   Fr= 1--      46.777                -24.947               -167.604
 CID1   Fr= 1--       3.164                 -0.108                 -0.397
 Raman2 Fr= 1--       6.259                 29.840                 58.731
 ROA2   Fr= 1--       4.611                 -1.548                 -8.928
 CID2   Fr= 1--       0.737                 -0.052                 -0.152
 Raman3 Fr= 1--      12.519                 59.679                117.462
 ROA3   Fr= 1--      46.777                -24.947               -167.604
 CID3   Fr= 1--       3.737                 -0.418                 -1.427
 RC180  Fr= 1--       0.694                 -0.483                 -0.443
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.03  -0.02     0.01   0.02   0.01    -0.00  -0.00   0.00
     2   6    -0.02   0.05  -0.01    -0.00  -0.02  -0.00     0.00   0.00   0.00
     3   6    -0.00  -0.00   0.00    -0.01  -0.04  -0.01    -0.00  -0.07   0.03
     4   6     0.00   0.01   0.00     0.13   0.49   0.09     0.00  -0.00   0.00
     5   6    -0.00  -0.00   0.00    -0.03  -0.04  -0.00     0.00   0.00  -0.00
     6   6    -0.00  -0.01  -0.00    -0.17  -0.45  -0.06     0.00   0.00   0.00
     7   6    -0.00   0.00   0.00     0.02   0.05   0.01     0.00   0.00   0.00
     8   6     0.06  -0.03   0.07    -0.01   0.00  -0.00    -0.00   0.00   0.00
     9   1     0.06   0.02  -0.00    -0.06  -0.04  -0.00     0.01  -0.01  -0.01
    10   1     0.05  -0.04  -0.01    -0.04   0.06   0.02     0.00   0.00  -0.00
    11   1    -0.00  -0.00   0.00    -0.10  -0.15   0.10    -0.02  -0.02  -0.04
    12   1     0.00   0.00  -0.00     0.14   0.13  -0.01    -0.02   0.02   0.01
    13   1    -0.00  -0.00  -0.00    -0.15  -0.10  -0.08     0.01  -0.06   0.05
    14   1     0.03  -0.07   0.02     0.16   0.12  -0.10    -0.02  -0.02  -0.05
    15   1     0.02  -0.06  -0.07     0.19   0.09   0.03     0.00  -0.00   0.01
    16   6     0.03  -0.01  -0.01    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    17   6    -0.01  -0.00   0.02     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    18   1     0.07  -0.06   0.34     0.00   0.01  -0.03    -0.01   0.00   0.00
    19   1    -0.26   0.38  -0.15     0.01  -0.01  -0.00     0.01   0.01   0.01
    20   1    -0.34  -0.16  -0.28     0.02   0.00  -0.00     0.01  -0.03   0.01
    21   1     0.26  -0.06   0.06     0.00  -0.00   0.00     0.00   0.00  -0.00
    22   1    -0.23  -0.13  -0.29    -0.00  -0.00  -0.00     0.00  -0.01   0.00
    23   1    -0.12   0.31  -0.21    -0.00   0.00  -0.00     0.01   0.01   0.01
    24   1     0.05   0.03   0.03     0.10  -0.13  -0.17    -0.07   0.76  -0.59
    25   1     0.05   0.06  -0.04     0.14  -0.17  -0.01     0.09   0.06   0.20
    26   1     0.00  -0.00  -0.00     0.38   0.13  -0.09    -0.01   0.01   0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   2985.7488              3009.4964              3012.4267
 Red. masses --      1.0708                 1.0586                 1.0731
 Frc consts  --      5.6242                 5.6490                 5.7377
 IR Inten    --     45.6335                20.4863                50.1091
 RamAct Fr= 1--    139.9894               104.1345               240.9007
  Dep-P Fr= 1--      0.1734                 0.2054                 0.0532
  Dep-U Fr= 1--      0.2955                 0.3407                 0.1011
 Alpha2 Fr= 1--      2.0384                 1.3942                 4.7220
 Beta2  Fr= 1--      6.8944                 5.9138                 4.0589
 AlphaG Fr= 1--     -0.5448                -0.3481                 0.0803
 Gamma2 Fr= 1--      2.2999               -23.0092                27.5415
 Delta2 Fr= 1--      1.6188               -13.3037                11.3438
 Raman1 Fr= 1--     559.957                416.538                963.603
 ROA1   Fr= 1--     272.592              -2634.605               3006.982
 CID1   Fr= 1--       0.487                 -6.325                  3.121
 Raman2 Fr= 1--      82.733                 70.965                 48.707
 ROA2   Fr= 1--      42.248               -445.792                570.245
 CID2   Fr= 1--       0.511                 -6.282                 11.708
 Raman3 Fr= 1--     165.466                141.930                 97.413
 ROA3   Fr= 1--     272.592              -2634.605               3006.982
 CID3   Fr= 1--       1.647                -18.563                 30.868
 RC180  Fr= 1--      -0.409                 -0.319                 -0.798
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     2   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     3   6    -0.00  -0.00   0.00    -0.02  -0.00  -0.05    -0.02  -0.01  -0.05
     4   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     5   6     0.00   0.00  -0.00     0.03   0.03  -0.00    -0.02  -0.02   0.00
     6   6    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     7   6    -0.02  -0.05  -0.06     0.00  -0.00   0.00    -0.01   0.03  -0.03
     8   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     9   1     0.00  -0.00   0.00     0.02  -0.01  -0.03     0.02  -0.02  -0.04
    10   1    -0.01  -0.01   0.01    -0.00  -0.00   0.00     0.02   0.02  -0.02
    11   1    -0.00  -0.00  -0.00    -0.21  -0.18  -0.44     0.13   0.11   0.26
    12   1    -0.00   0.00   0.00    -0.17   0.20   0.11     0.11  -0.14  -0.07
    13   1     0.00  -0.00   0.00     0.05  -0.38   0.34    -0.03   0.27  -0.24
    14   1     0.32   0.39   0.83    -0.00  -0.00  -0.01     0.03   0.05   0.08
    15   1    -0.04   0.14  -0.15    -0.00   0.01  -0.01     0.07  -0.39   0.33
    16   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    17   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.00  -0.00
    18   1     0.01  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    19   1    -0.01  -0.02  -0.02    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    20   1    -0.00   0.01  -0.00    -0.00   0.01  -0.00    -0.00  -0.00   0.00
    21   1    -0.00  -0.00   0.00    -0.00  -0.00   0.01     0.01   0.01  -0.05
    22   1    -0.00   0.01  -0.00    -0.00   0.02  -0.00     0.02  -0.07   0.02
    23   1    -0.01  -0.01  -0.01    -0.01  -0.01  -0.01     0.04   0.05   0.04
    24   1    -0.00   0.04  -0.03     0.01  -0.17   0.11     0.00  -0.08   0.05
    25   1     0.01   0.01   0.02     0.22   0.20   0.49     0.25   0.23   0.56
    26   1     0.02  -0.02  -0.01     0.00  -0.00  -0.00    -0.02   0.02   0.01
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3012.8856              3013.2011              3022.9358
 Red. masses --      1.0820                 1.0364                 1.0401
 Frc consts  --      5.7868                 5.5439                 5.6000
 IR Inten    --     39.2365                31.6122                55.7352
 RamAct Fr= 1--    105.2779               161.7391               300.7704
  Dep-P Fr= 1--      0.7438                 0.0274                 0.0288
  Dep-U Fr= 1--      0.8531                 0.0534                 0.0561
 Alpha2 Fr= 1--      0.0111                 3.3704                 6.2466
 Beta2  Fr= 1--     14.9685                 1.4390                 2.8106
 AlphaG Fr= 1--      0.0586                 0.1936                -0.3682
 Gamma2 Fr= 1--    -11.3992                 1.9772                 2.3736
 Delta2 Fr= 1--      0.8126                -0.4780                -1.3334
 Raman1 Fr= 1--     421.111                646.956               1203.082
 ROA1   Fr= 1--   -1068.318                174.517                185.198
 CID1   Fr= 1--      -2.537                  0.270                  0.154
 Raman2 Fr= 1--     179.622                 17.268                 33.727
 ROA2   Fr= 1--    -280.081                 51.278                 67.634
 CID2   Fr= 1--      -1.559                  2.970                  2.005
 Raman3 Fr= 1--     359.245                 34.535                 67.455
 ROA3   Fr= 1--   -1068.318                174.517                185.198
 CID3   Fr= 1--      -2.974                  5.053                  2.746
 RC180  Fr= 1--       0.706                 -0.893                 -0.888
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     2   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6    -0.01  -0.01  -0.03    -0.00  -0.00  -0.01    -0.00  -0.00   0.00
     4   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   6    -0.01  -0.01   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     7   6     0.02  -0.05   0.05     0.00   0.00   0.00     0.00   0.00   0.00
     8   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     9   1     0.01  -0.01  -0.02     0.01  -0.01  -0.01     0.01  -0.01  -0.01
    10   1    -0.03  -0.03   0.04     0.01   0.00  -0.01     0.01   0.00  -0.01
    11   1     0.08   0.07   0.17     0.03   0.02   0.05     0.01   0.01   0.02
    12   1     0.08  -0.09  -0.05     0.02  -0.03  -0.01     0.01  -0.01  -0.00
    13   1    -0.02   0.18  -0.16    -0.01   0.05  -0.05    -0.00   0.02  -0.01
    14   1    -0.05  -0.09  -0.13    -0.00  -0.00  -0.01    -0.01  -0.01  -0.03
    15   1    -0.12   0.62  -0.52    -0.00   0.00  -0.00     0.00  -0.01   0.01
    16   6     0.00  -0.00   0.00    -0.00   0.00  -0.01     0.01  -0.01   0.05
    17   6    -0.00   0.00  -0.00     0.05  -0.01   0.00     0.01  -0.00  -0.00
    18   1     0.00  -0.00  -0.00    -0.08   0.02   0.01     0.29  -0.06  -0.04
    19   1    -0.00  -0.00  -0.00     0.09   0.11   0.10    -0.34  -0.40  -0.37
    20   1    -0.00   0.01  -0.00     0.04  -0.17   0.04    -0.13   0.62  -0.17
    21   1     0.01   0.01  -0.03    -0.08  -0.07   0.41    -0.03  -0.02   0.12
    22   1     0.01  -0.05   0.01    -0.13   0.57  -0.14    -0.04   0.15  -0.04
    23   1     0.03   0.03   0.03    -0.34  -0.37  -0.33    -0.09  -0.10  -0.09
    24   1     0.00  -0.05   0.03    -0.00  -0.00  -0.00    -0.00   0.03  -0.02
    25   1     0.15   0.14   0.34     0.04   0.03   0.08     0.01   0.01   0.02
    26   1     0.01  -0.01  -0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3048.6008              3063.1122              3066.4866
 Red. masses --      1.0990                 1.1013                 1.1004
 Frc consts  --      6.0181                 6.0881                 6.0965
 IR Inten    --     24.4214                 2.9524                54.7111
 RamAct Fr= 1--     94.0008                17.2892               141.9367
  Dep-P Fr= 1--      0.7406                 0.7500                 0.7493
  Dep-U Fr= 1--      0.8510                 0.8571                 0.8567
 Alpha2 Fr= 1--      0.0151                 0.0000                 0.0017
 Beta2  Fr= 1--     13.3317                 2.4699                20.2659
 AlphaG Fr= 1--      0.1586                 0.0005                 0.0312
 Gamma2 Fr= 1--      2.8150                 0.4004                 0.5200
 Delta2 Fr= 1--      4.9251                 0.0003                 2.8049
 Raman1 Fr= 1--     376.003                 69.157                567.747
 ROA1   Fr= 1--     427.844                 38.447                139.674
 CID1   Fr= 1--       1.138                  0.556                  0.246
 Raman2 Fr= 1--     159.981                 29.638                243.191
 ROA2   Fr= 1--      28.159                  9.606                 -9.960
 CID2   Fr= 1--       0.176                  0.324                 -0.041
 Raman3 Fr= 1--     319.962                 59.276                486.381
 ROA3   Fr= 1--     427.844                 38.447                139.674
 CID3   Fr= 1--       1.337                  0.649                  0.287
 RC180  Fr= 1--       0.702                  0.714                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     2   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     3   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     5   6    -0.03   0.02  -0.08    -0.00   0.00  -0.00    -0.00   0.00   0.00
     6   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     7   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     8   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     9   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    10   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    11   1     0.30   0.28   0.59     0.00   0.00   0.00    -0.00  -0.00  -0.00
    12   1     0.00  -0.01  -0.03    -0.00   0.00   0.00     0.00  -0.00  -0.00
    13   1     0.05  -0.53   0.44     0.00  -0.00   0.00    -0.00   0.01  -0.00
    14   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.01     0.00   0.00   0.01
    15   1    -0.00   0.01  -0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
    16   6     0.00  -0.00  -0.00     0.01   0.05   0.01    -0.02  -0.07  -0.01
    17   6    -0.00   0.00   0.00    -0.02  -0.07  -0.01    -0.01  -0.05  -0.01
    18   1    -0.00   0.00   0.00     0.00   0.01   0.00    -0.01  -0.02  -0.00
    19   1     0.00   0.00   0.00    -0.22  -0.24  -0.24     0.32   0.35   0.34
    20   1    -0.00   0.01  -0.00     0.09  -0.37   0.11    -0.12   0.54  -0.16
    21   1     0.00   0.00  -0.00    -0.00  -0.02  -0.01    -0.00  -0.01  -0.01
    22   1     0.00  -0.00   0.00    -0.14   0.54  -0.14    -0.10   0.38  -0.10
    23   1    -0.00  -0.00  -0.00     0.34   0.35   0.32     0.23   0.24   0.22
    24   1     0.00  -0.02   0.01     0.00  -0.01   0.00     0.00   0.01  -0.00
    25   1     0.01   0.01   0.03     0.00   0.00   0.00    -0.00  -0.00  -0.00
    26   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   3086.8091              3102.0605              3123.8813
 Red. masses --      1.1002                 1.0985                 1.0953
 Frc consts  --      6.1762                 6.2278                 6.2978
 IR Inten    --     27.3454                20.2287                 8.9841
 RamAct Fr= 1--     51.8047                56.6604                38.8133
  Dep-P Fr= 1--      0.7479                 0.7053                 0.5283
  Dep-U Fr= 1--      0.8558                 0.8272                 0.6914
 Alpha2 Fr= 1--      0.0018                 0.0440                 0.1668
 Beta2  Fr= 1--      7.3890                 7.8114                 4.4725
 AlphaG Fr= 1--      0.0034                -0.0716                -0.2022
 Gamma2 Fr= 1--      0.8158                -2.1070                -2.9217
 Delta2 Fr= 1--     -0.3096                -1.4880                -0.6150
 Raman1 Fr= 1--     207.219                226.641                155.253
 ROA1   Fr= 1--      68.404               -249.888               -300.162
 CID1   Fr= 1--       0.330                 -1.103                 -1.933
 Raman2 Fr= 1--      88.668                 93.737                 53.670
 ROA2   Fr= 1--      22.055                -38.663                -65.201
 CID2   Fr= 1--       0.249                 -0.412                 -1.215
 Raman3 Fr= 1--     177.336                187.474                107.339
 ROA3   Fr= 1--      68.404               -249.888               -300.162
 CID3   Fr= 1--       0.386                 -1.333                 -2.796
 RC180  Fr= 1--       0.712                  0.654                  0.383
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     2   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     3   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     4   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   6    -0.00   0.00  -0.00     0.04  -0.07  -0.03    -0.00   0.00  -0.00
     6   6    -0.00   0.00   0.00    -0.01   0.01   0.00     0.00   0.00  -0.00
     7   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     8   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     9   1     0.02  -0.02  -0.04     0.00   0.00   0.00    -0.01   0.01   0.02
    10   1     0.03   0.02  -0.03     0.00   0.00  -0.00    -0.01  -0.01   0.01
    11   1    -0.00  -0.00  -0.00     0.12   0.08   0.21     0.00   0.00   0.00
    12   1     0.00  -0.00  -0.00    -0.57   0.64   0.36     0.00  -0.00  -0.00
    13   1     0.00  -0.00   0.00    -0.01   0.17  -0.17     0.00  -0.00   0.00
    14   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    15   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    16   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.09   0.02   0.00
    17   6    -0.00   0.02  -0.09    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    18   1    -0.01   0.00   0.00     0.00  -0.00  -0.00     0.92  -0.17  -0.16
    19   1     0.00   0.01   0.01     0.00   0.00   0.00     0.10   0.14   0.12
    20   1     0.00  -0.01   0.00    -0.00   0.00  -0.00     0.03  -0.20   0.06
    21   1    -0.19  -0.13   0.86    -0.00  -0.00   0.00    -0.00  -0.00   0.01
    22   1     0.07  -0.29   0.05    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    23   1     0.18   0.20   0.15     0.00   0.00   0.00     0.00   0.00   0.00
    24   1     0.00  -0.00   0.00    -0.00   0.01  -0.00     0.00   0.00   0.00
    25   1    -0.00  -0.00  -0.00     0.00   0.00   0.01    -0.00   0.00  -0.00
    26   1     0.00  -0.00  -0.00     0.07  -0.05  -0.04    -0.00   0.00   0.00
                     70                     71                     72
                      A                      A                      A
 Frequencies --   3128.9838              3131.2260              3139.7834
 Red. masses --      1.0874                 1.0884                 1.0892
 Frc consts  --      6.2727                 6.2876                 6.3263
 IR Inten    --     13.6069                39.7202                34.6221
 RamAct Fr= 1--     70.4260               121.5435               198.1208
  Dep-P Fr= 1--      0.7251                 0.2762                 0.0845
  Dep-U Fr= 1--      0.8407                 0.4329                 0.1559
 Alpha2 Fr= 1--      0.0301                 1.3370                 3.6020
 Beta2  Fr= 1--      9.8673                 8.7684                 5.1470
 AlphaG Fr= 1--     -0.0432                -0.0005                -0.0770
 Gamma2 Fr= 1--     -1.9301                -2.8141                -0.2472
 Delta2 Fr= 1--      0.3658                -1.1002                 0.5115
 Raman1 Fr= 1--     281.704                486.174                792.483
 ROA1   Fr= 1--    -173.585               -305.365                 -7.360
 CID1   Fr= 1--      -0.616                 -0.628                 -0.009
 Raman2 Fr= 1--     118.407                105.221                 61.765
 ROA2   Fr= 1--     -49.249                -58.737                -10.024
 CID2   Fr= 1--      -0.416                 -0.558                 -0.162
 Raman3 Fr= 1--     236.815                210.443                123.529
 ROA3   Fr= 1--    -173.585               -305.365                 -7.360
 CID3   Fr= 1--      -0.733                 -1.451                 -0.060
 RC180  Fr= 1--       0.681                 -0.134                 -0.688
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.02  -0.05    -0.00   0.00   0.01     0.02  -0.02  -0.05
     2   6    -0.04  -0.02   0.04     0.00  -0.00   0.00     0.04   0.03  -0.04
     3   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     4   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     5   6    -0.00   0.00   0.00    -0.00   0.01   0.00    -0.00   0.00   0.00
     6   6    -0.00   0.00   0.00    -0.06   0.05   0.03    -0.01   0.00   0.00
     7   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     8   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     9   1    -0.31   0.27   0.60     0.05  -0.05  -0.10    -0.28   0.25   0.55
    10   1     0.40   0.30  -0.44     0.01   0.01  -0.01    -0.44  -0.33   0.48
    11   1    -0.00  -0.00  -0.00    -0.01  -0.00  -0.01     0.00   0.00   0.00
    12   1     0.01  -0.01  -0.00     0.06  -0.06  -0.04     0.01  -0.01  -0.00
    13   1     0.00  -0.00   0.00     0.00  -0.01   0.01     0.00   0.00  -0.00
    14   1    -0.00  -0.00  -0.00    -0.01  -0.01  -0.02    -0.00  -0.00  -0.00
    15   1    -0.01   0.03  -0.03     0.00  -0.02   0.02     0.01  -0.04   0.03
    16   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    17   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.01
    18   1    -0.00   0.00   0.00     0.01  -0.00  -0.00    -0.02   0.00   0.00
    19   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.01  -0.01  -0.01
    20   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.01  -0.00
    21   1    -0.00  -0.00   0.00     0.00   0.00  -0.01    -0.02  -0.01   0.07
    22   1    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.01   0.00
    23   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.01   0.01
    24   1     0.00  -0.00  -0.00    -0.00   0.01  -0.00     0.00   0.00  -0.00
    25   1     0.02   0.02   0.04    -0.00   0.00   0.00     0.02   0.02   0.04
    26   1     0.06  -0.05  -0.03     0.69  -0.58  -0.39     0.07  -0.05  -0.04

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  6 and mass  12.00000
 Atom    17 has atomic number  6 and mass  12.00000
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Molecular mass:   136.12520 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   729.946551882.076572052.97649
           X            0.99998   0.00587  -0.00278
           Y           -0.00585   0.99997   0.00509
           Z            0.00281  -0.00508   0.99998
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.11866     0.04602     0.04219
 Rotational constants (GHZ):           2.47243     0.95891     0.87909
 Zero-point vibrational energy     616314.3 (Joules/Mol)
                                  147.30266 (Kcal/Mol)
 Warning -- explicit consideration of  15 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    114.99   228.09   259.90   271.90   296.33
          (Kelvin)            339.93   362.05   389.54   488.01   506.03
                              587.84   619.33   669.46   733.39   835.10
                              987.74  1042.17  1111.25  1159.04  1202.58
                             1320.48  1348.80  1371.81  1384.64  1403.45
                             1433.35  1463.24  1488.69  1519.99  1546.12
                             1585.51  1621.46  1680.12  1690.95  1699.26
                             1767.36  1796.34  1809.99  1914.33  1930.97
                             1967.19  1989.42  2014.70  2031.05  2037.06
                             2050.59  2097.67  2122.48  2129.05  2130.05
                             2139.73  2148.28  2149.50  2172.12  2180.69
                             2511.61  4290.00  4295.83  4329.99  4334.21
                             4334.87  4335.32  4349.33  4386.26  4407.14
                             4411.99  4441.23  4463.17  4494.57  4501.91
                             4505.14  4517.45
 
 Zero-point correction=                           0.234742 (Hartree/Particle)
 Thermal correction to Energy=                    0.245197
 Thermal correction to Enthalpy=                  0.246141
 Thermal correction to Gibbs Free Energy=         0.199977
 Sum of electronic and zero-point Energies=           -390.621104
 Sum of electronic and thermal Energies=              -390.610648
 Sum of electronic and thermal Enthalpies=            -390.609704
 Sum of electronic and thermal Free Energies=         -390.655869
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  153.863             41.122             97.161
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.637
 Rotational               0.889              2.981             29.424
 Vibrational            152.086             35.161             27.100
 Vibration     1          0.600              1.963              3.893
 Vibration     2          0.621              1.893              2.567
 Vibration     3          0.630              1.866              2.322
 Vibration     4          0.633              1.855              2.238
 Vibration     5          0.640              1.831              2.079
 Vibration     6          0.655              1.785              1.831
 Vibration     7          0.664              1.760              1.719
 Vibration     8          0.674              1.727              1.591
 Vibration     9          0.719              1.597              1.216
 Vibration    10          0.728              1.572              1.159
 Vibration    11          0.773              1.452              0.932
 Vibration    12          0.792              1.404              0.857
 Vibration    13          0.823              1.327              0.751
 Vibration    14          0.865              1.228              0.634
 Vibration    15          0.937              1.074              0.485
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.104030D-91        -91.982843       -211.798323
 Total V=0       0.978961D+16         15.990765         36.820098
 Vib (Bot)       0.277200-105       -105.557207       -243.054450
 Vib (Bot)    1  0.257678D+01          0.411078          0.946541
 Vib (Bot)    2  0.127580D+01          0.105783          0.243573
 Vib (Bot)    3  0.111162D+01          0.045956          0.105818
 Vib (Bot)    4  0.105944D+01          0.025077          0.057741
 Vib (Bot)    5  0.965881D+00         -0.015076         -0.034715
 Vib (Bot)    6  0.831318D+00         -0.080233         -0.184743
 Vib (Bot)    7  0.775000D+00         -0.110698         -0.254892
 Vib (Bot)    8  0.713537D+00         -0.146584         -0.337521
 Vib (Bot)    9  0.547723D+00         -0.261439         -0.601986
 Vib (Bot)   10  0.523995D+00         -0.280673         -0.646274
 Vib (Bot)   11  0.433492D+00         -0.363019         -0.835882
 Vib (Bot)   12  0.404629D+00         -0.392942         -0.904784
 Vib (Bot)   13  0.363940D+00         -0.438970         -1.010765
 Vib (Bot)   14  0.319632D+00         -0.495350         -1.140585
 Vib (Bot)   15  0.262422D+00         -0.581000         -1.337801
 Vib (V=0)       0.260857D+03          2.416402          5.563971
 Vib (V=0)    1  0.312484D+01          0.494828          1.139384
 Vib (V=0)    2  0.187028D+01          0.271906          0.626088
 Vib (V=0)    3  0.171889D+01          0.235249          0.541680
 Vib (V=0)    4  0.167150D+01          0.223107          0.513722
 Vib (V=0)    5  0.158762D+01          0.200748          0.462238
 Vib (V=0)    6  0.147010D+01          0.167346          0.385329
 Vib (V=0)    7  0.142229D+01          0.152989          0.352271
 Vib (V=0)    8  0.137128D+01          0.137127          0.315747
 Vib (V=0)    9  0.124162D+01          0.093989          0.216417
 Vib (V=0)   10  0.122427D+01          0.087878          0.202347
 Vib (V=0)   11  0.116175D+01          0.065113          0.149929
 Vib (V=0)   12  0.114321D+01          0.058128          0.133844
 Vib (V=0)   13  0.111843D+01          0.048608          0.111924
 Vib (V=0)   14  0.109343D+01          0.038793          0.089324
 Vib (V=0)   15  0.106468D+01          0.027220          0.062676
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.624254D+08          7.795362         17.949484
 Rotational      0.601176D+06          5.779002         13.306643
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000030910   -0.000011240   -0.000011087
      2        6           0.000026123    0.000031548   -0.000007283
      3        6          -0.000043802   -0.000016513   -0.000008809
      4        6           0.000030745   -0.000002616   -0.000002870
      5        6          -0.000005679    0.000005282    0.000006595
      6        6           0.000039985   -0.000031202   -0.000006235
      7        6          -0.000057269    0.000009743    0.000024479
      8        6          -0.000030251   -0.000021457    0.000021218
      9        1           0.000000907   -0.000003845    0.000009464
     10        1          -0.000001767    0.000002662   -0.000000311
     11        1           0.000000926    0.000001602    0.000000177
     12        1           0.000003583    0.000004872    0.000000274
     13        1          -0.000003488    0.000000214    0.000001724
     14        1          -0.000004426    0.000008444    0.000000925
     15        1           0.000002650    0.000002313    0.000002318
     16        6          -0.000010561    0.000000625    0.000010479
     17        6           0.000002051    0.000001205   -0.000006925
     18        1           0.000008182    0.000007271   -0.000030342
     19        1           0.000000360   -0.000002609   -0.000000112
     20        1          -0.000000253    0.000004364   -0.000002198
     21        1          -0.000003137    0.000003685   -0.000004991
     22        1           0.000016345   -0.000002182    0.000003126
     23        1           0.000003026    0.000001053   -0.000001470
     24        1          -0.000003852    0.000000975    0.000001566
     25        1          -0.000004044    0.000005061    0.000001567
     26        1           0.000002733    0.000000746   -0.000001279
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000057269 RMS     0.000014641
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.128316D+03  0.423215D+01  0.613290D+00
      2   0.423215D+01  0.118357D+03  0.240675D+01
      3   0.613290D+00  0.240675D+01  0.993004D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.942896D+00  0.137959D+00  0.304318D+01
      2   0.826607D+01 -0.787368D+01  0.994764D+01
      3   0.178394D+02  0.286316D+02  0.653780D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.188403D+02 -0.496414D+02  0.756722D+01
      2   0.715945D+00  0.484934D+02 -0.124827D+02
      3   0.181244D+02  0.114799D+01  0.491545D+01
      4  -0.429142D+02 -0.482909D+02 -0.214944D+02
      5   0.211797D+02 -0.193757D+02  0.322308D+02
      6  -0.100482D+02  0.474919D+01 -0.193462D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    78 ND12= 1 LenFil=    2811:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.255297D+01 -0.591752D+00 -0.192127D+01  0.293767D+00 -0.197262D+01
      2  -0.591752D+00 -0.296300D+00 -0.130589D+01 -0.197262D+01 -0.460108D+01
      3  -0.192127D+01 -0.130589D+01 -0.408449D+01  0.211627D-01 -0.240245D+00
                 6             7             8             9            10 
      1   0.211627D-01 -0.357249D+01 -0.224949D+01 -0.402923D+01 -0.191833D+01
      2  -0.240245D+00 -0.224949D+01  0.183385D+01  0.816653D+00  0.123479D+01
      3   0.140767D+01 -0.402923D+01  0.816653D+00 -0.370039D-01 -0.189325D+00
                11            12            13            14            15 
      1   0.123479D+01 -0.189325D+00  0.325327D+00 -0.175430D+01  0.123082D+01
      2  -0.932974D+00  0.306568D+01 -0.175430D+01  0.545248D+01  0.406181D+00
      3   0.306568D+01 -0.249894D+01  0.123082D+01  0.406181D+00  0.501307D+00
                16            17            18            19            20 
      1  -0.548842D+00  0.456181D+01 -0.221435D+01 -0.712766D-01 -0.112477D+01
      2   0.456181D+01  0.617471D+00  0.129218D+01 -0.112477D+01 -0.977587D+00
      3  -0.221435D+01  0.129218D+01 -0.623942D-01  0.547707D+00  0.127405D+01
                21            22            23            24            25 
      1   0.547707D+00 -0.109463D+01  0.276142D+00  0.104280D+01  0.100947D+01
      2   0.127405D+01  0.276142D+00  0.914961D+01 -0.265616D+00  0.110904D+01
      3   0.176980D+01  0.104280D+01 -0.265616D+00  0.237220D+01  0.299883D+01
                26            27            28            29            30 
      1   0.110904D+01  0.299883D+01 -0.509792D+01 -0.279336D+01 -0.569865D+00
      2  -0.845797D+00  0.455883D+01 -0.279336D+01 -0.319569D+01 -0.101219D+01
      3   0.455883D+01  0.345243D+01 -0.569865D+00 -0.101219D+01 -0.106070D+01
                31            32            33            34            35 
      1  -0.336041D+01 -0.591204D+01 -0.177762D+01 -0.123028D+01 -0.168337D+01
      2  -0.591204D+01 -0.174725D+02 -0.845845D+00 -0.168337D+01 -0.129650D+01
      3  -0.177762D+01 -0.845845D+00 -0.300595D+01 -0.269275D+01 -0.333154D+01
                36            37            38            39            40 
      1  -0.269275D+01  0.276850D+01  0.574968D+00  0.895480D+00 -0.394415D+00
      2  -0.333154D+01  0.574968D+00  0.404592D+01  0.258237D+01  0.571554D+01
      3  -0.158096D+01  0.895480D+00  0.258237D+01  0.189602D+01  0.209189D+01
                41            42            43            44            45 
      1   0.571554D+01  0.209189D+01  0.128683D+01  0.239661D+01  0.392704D+01
      2   0.481002D+01 -0.284973D+01  0.239661D+01 -0.316143D+01  0.403688D+01
      3  -0.284973D+01  0.235125D+01  0.392704D+01  0.403688D+01  0.127545D+01
                46            47            48            49            50 
      1   0.467338D+01  0.223307D+01 -0.437229D+00  0.360227D+01  0.674244D+01
      2   0.223307D+01  0.644984D+01  0.278658D+01  0.674244D+01  0.148112D+02
      3  -0.437229D+00  0.278658D+01  0.150906D+01  0.240850D+01 -0.640815D+00
                51            52            53            54            55 
      1   0.240850D+01 -0.284686D-01  0.342537D+01  0.187866D+01 -0.143196D+01
      2  -0.640815D+00  0.342537D+01 -0.137150D+01  0.387104D+01 -0.118553D+01
      3   0.237768D+01  0.187866D+01  0.387104D+01  0.205215D+01 -0.599780D+00
                56            57            58            59            60 
      1  -0.118553D+01 -0.599780D+00 -0.128601D+01 -0.353615D+01 -0.141320D+01
      2  -0.346527D+01 -0.230777D+01 -0.353615D+01 -0.828672D+01  0.111027D+01
      3  -0.230777D+01 -0.763040D+00 -0.141320D+01  0.111027D+01 -0.260206D+01
                61            62            63            64            65 
      1  -0.731499D+00 -0.212100D+01 -0.135854D+01  0.272365D+01  0.369885D-01
      2  -0.212100D+01  0.143666D+01 -0.537048D+01  0.369885D-01  0.983760D+00
      3  -0.135854D+01 -0.537048D+01 -0.177182D+01  0.372880D+01 -0.659422D+00
                66            67            68            69            70 
      1   0.372880D+01  0.234049D+00  0.480889D+01 -0.584631D-01  0.627463D+01
      2  -0.659422D+00  0.480889D+01 -0.376759D+01  0.264365D+01 -0.789906D+00
      3   0.389267D+01 -0.584631D-01  0.264365D+01  0.299514D+00  0.454644D+01
                71            72            73            74            75 
      1  -0.789906D+00  0.454644D+01  0.179865D+01 -0.125706D+01 -0.141866D+01
      2   0.167125D+01  0.392026D-01 -0.125706D+01  0.830339D+00  0.888398D+00
      3   0.392026D-01 -0.610780D-01 -0.141866D+01  0.888398D+00  0.248468D+01
                76            77            78            79            80 
      1  -0.128010D+01  0.519032D+00  0.488573D+00 -0.180509D+01  0.910118D+00
      2   0.519032D+00 -0.159165D+01 -0.196507D+01  0.910118D+00 -0.217487D+01
      3   0.488573D+00 -0.196507D+01 -0.263698D+01  0.198971D+01 -0.270447D+01
                81            82            83            84            85 
      1   0.198971D+01  0.355436D+01  0.168237D+01 -0.175788D+01  0.157602D+01
      2  -0.270447D+01  0.168237D+01  0.181012D+01 -0.171116D+01  0.125215D+01
      3  -0.603514D+01 -0.175788D+01 -0.171116D+01  0.236716D+01 -0.124937D+01
                86            87            88            89            90 
      1   0.125215D+01 -0.124937D+01 -0.232525D+01 -0.170718D+01  0.211657D+01
      2   0.316119D+01 -0.194330D+01 -0.170718D+01 -0.216165D+01  0.200730D+01
      3  -0.194330D+01  0.167685D+01  0.211657D+01  0.200730D+01 -0.324157D+01
                91            92            93            94            95 
      1  -0.429918D+01 -0.181480D+01 -0.208949D+01 -0.246222D+01 -0.276116D+01
      2  -0.181480D+01 -0.148066D+01 -0.113140D+01 -0.276116D+01 -0.295154D+01
      3  -0.208949D+01 -0.113140D+01 -0.180904D+01 -0.111220D+01 -0.105150D+01
                96            97            98            99           100 
      1  -0.111220D+01 -0.504464D+01 -0.267131D+01 -0.314773D+01 -0.562186D+01
      2  -0.105150D+01 -0.267131D+01 -0.223247D+01 -0.256610D+01  0.183772D+01
      3  -0.163282D+01 -0.314773D+01 -0.256610D+01 -0.426428D+01  0.147253D+01
               101           102           103           104           105 
      1   0.183772D+01  0.147253D+01  0.469001D+01 -0.193411D+01 -0.138075D+01
      2  -0.130698D+01 -0.660192D+00 -0.193411D+01  0.189900D+01  0.915906D+00
      3  -0.660192D+00 -0.132058D+01 -0.138075D+01  0.915906D+00  0.104407D+01
               106           107           108           109           110 
      1   0.237452D+01 -0.828596D+00 -0.187853D+01 -0.370096D+00 -0.762784D+00
      2  -0.828596D+00  0.927533D+00  0.388729D+00 -0.762784D+00  0.138890D-01
      3  -0.187853D+01  0.388729D+00  0.133845D+01  0.422769D+00 -0.262054D+00
               111           112           113           114           115 
      1   0.422769D+00 -0.293809D+01 -0.292099D+01  0.772300D+00  0.183264D+01
      2  -0.262054D+00 -0.292099D+01 -0.662843D+01  0.299513D+01  0.106458D+01
      3  -0.208548D+00  0.772300D+00  0.299513D+01 -0.246132D+01 -0.168023D+01
               116           117           118           119           120 
      1   0.106458D+01 -0.168023D+01  0.170590D+01  0.129171D+01  0.120606D+01
      2   0.366636D+01 -0.312050D+01  0.129171D+01  0.187171D+01  0.120625D+01
      3  -0.312050D+01  0.285279D+01  0.120606D+01  0.120625D+01  0.110750D+01
               121           122           123           124           125 
      1   0.131068D+01  0.170159D+01  0.663582D+00  0.256773D+01  0.148013D+01
      2   0.170159D+01  0.565378D+01  0.209095D+01  0.148013D+01  0.456045D+01
      3   0.663582D+00  0.209095D+01  0.191321D+01  0.130421D+01  0.403398D+01
               126           127           128           129           130 
      1   0.130421D+01 -0.390906D+00  0.110599D+01 -0.621675D+00  0.178509D+01
      2   0.403398D+01  0.110599D+01 -0.923392D+00  0.639894D+00  0.604976D+00
      3   0.425713D+01 -0.621675D+00  0.639894D+00 -0.121725D+00  0.187841D+00
               131           132           133           134           135 
      1   0.604976D+00  0.187841D+00 -0.141578D+01  0.262824D+00  0.242848D+00
      2   0.999947D+01 -0.322486D+01  0.262824D+00 -0.502847D+01  0.358212D+01
      3  -0.322486D+01  0.207886D+01  0.242848D+00  0.358212D+01 -0.228296D+01
               136           137           138           139           140 
      1   0.529477D+01 -0.191315D+01 -0.212720D+01 -0.210865D+01 -0.288956D+01
      2  -0.191315D+01 -0.177954D+01 -0.675437D+00 -0.288956D+01  0.446598D+01
      3  -0.212720D+01 -0.675437D+00 -0.281494D+01 -0.749510D+00 -0.440635D+01
               141           142           143           144           145 
      1  -0.749510D+00 -0.309256D+01 -0.307109D+00 -0.312083D+01 -0.541626D-01
      2  -0.440635D+01 -0.307109D+00 -0.314311D+01 -0.112733D+01 -0.155783D+01
      3  -0.151931D+01 -0.312083D+01 -0.112733D+01  0.223305D+00 -0.260458D+01
               146           147           148           149           150 
      1  -0.155783D+01 -0.260458D+01 -0.194800D+01 -0.502221D+01 -0.624916D+00
      2  -0.296720D+01 -0.423578D+00 -0.502221D+01  0.481940D+01 -0.234199D+01
      3  -0.423578D+00 -0.242727D+01 -0.624916D+00 -0.234199D+01 -0.170452D+01
               151           152           153           154           155 
      1  -0.294466D+01 -0.617630D+00 -0.344092D+01 -0.642967D+01  0.718940D+00
      2  -0.617630D+00 -0.251016D+01 -0.156188D+01  0.718940D+00 -0.649330D+00
      3  -0.344092D+01 -0.156188D+01  0.489823D+01  0.100065D+01  0.209444D+00
               156           157           158           159           160 
      1   0.100065D+01  0.712892D+00 -0.102063D-02 -0.171310D+00  0.156659D+01
      2   0.209444D+00 -0.102063D-02 -0.389971D+00  0.853994D+00 -0.258161D+00
      3  -0.238371D+01 -0.171310D+00  0.853994D+00  0.424783D+00 -0.101492D+01
               161           162           163           164           165 
      1  -0.258161D+00 -0.101492D+01  0.237405D+01  0.120476D+01  0.242135D+01
      2   0.646252D+00  0.116948D+00  0.120476D+01  0.122644D+01  0.908572D+00
      3   0.116948D+00  0.854995D+00  0.242135D+01  0.908572D+00  0.334674D+01
               166           167           168           169           170 
      1   0.199382D+01  0.142714D+01  0.154875D+01  0.188947D+01  0.769982D+00
      2   0.142714D+01  0.149378D+01  0.219959D+01  0.769982D+00  0.147143D+01
      3   0.154875D+01  0.219959D+01  0.350569D+01  0.242954D+01  0.168196D+01
               171           172           173           174           175 
      1   0.242954D+01  0.575878D+00 -0.100316D+01  0.101297D+01 -0.149160D+01
      2   0.168196D+01 -0.100316D+01  0.120639D+01 -0.453645D+00  0.179553D+01
      3   0.490618D+01  0.101297D+01 -0.453645D+00  0.113008D+01 -0.818655D+00
               176           177           178           179           180 
      1   0.179553D+01 -0.818655D+00  0.589639D+00 -0.318888D+00  0.857566D+00
      2  -0.653396D+01  0.359960D+01 -0.318888D+00  0.182281D+01 -0.160675D+01
      3   0.359960D+01 -0.326460D+01  0.857566D+00 -0.160675D+01  0.199157D+01
               181           182           183           184           185 
      1   0.129232D+01  0.340483D+00 -0.136617D+01  0.795310D+00  0.873337D+00
      2   0.340483D+00  0.479971D+00  0.872783D-02  0.873337D+00 -0.154461D+00
      3  -0.136617D+01  0.872783D-02  0.151156D+01 -0.199881D+00 -0.549664D+00
               186           187           188           189           190 
      1  -0.199881D+00 -0.327185D+01  0.108889D+00  0.302001D+01  0.221583D+01
      2  -0.549664D+00  0.108889D+00 -0.870478D+00  0.484864D+00 -0.164205D+01
      3   0.848550D+00  0.302001D+01  0.484864D+00 -0.666212D+01  0.604861D+00
               191           192           193           194           195 
      1  -0.164205D+01  0.604861D+00 -0.421891D+01  0.419076D+01 -0.405143D+00
      2   0.171654D+01 -0.222914D+00  0.419076D+01 -0.721254D+01  0.121053D+01
      3  -0.222914D+00  0.436679D+00 -0.405143D+00  0.121053D+01 -0.121079D+01
               196           197           198           199           200 
      1   0.148878D+01 -0.632455D+00  0.112296D+01  0.588891D+01  0.184919D+01
      2  -0.632455D+00  0.135164D+01 -0.925826D+00  0.184919D+01  0.154364D+01
      3   0.112296D+01 -0.925826D+00  0.371260D+00  0.202854D+01  0.735685D+00
               201           202           203           204           205 
      1   0.202854D+01  0.451075D+01  0.256079D+01  0.127286D+01  0.415511D+01
      2   0.735685D+00  0.256079D+01  0.175875D+01  0.129986D+01  0.971862D+00
      3   0.151967D+01  0.127286D+01  0.129986D+01  0.159846D+01  0.234216D+01
               206           207           208           209           210 
      1   0.971862D+00  0.234216D+01  0.144533D+00 -0.898996D+00  0.413451D+00
      2   0.144214D+01  0.106477D+01 -0.898996D+00  0.496057D-02 -0.332172D+00
      3   0.106477D+01  0.177422D+01  0.413451D+00 -0.332172D+00 -0.166389D+00
               211           212           213           214           215 
      1  -0.163691D+01 -0.504612D+00  0.596003D-01  0.154554D+01  0.143896D+00
      2  -0.504612D+00 -0.890417D+01  0.147330D+01  0.143896D+00  0.405787D+01
      3   0.596003D-01  0.147330D+01 -0.138157D+01 -0.538312D+00 -0.234094D+01
               216           217           218           219           220 
      1  -0.538312D+00 -0.190668D+01 -0.917409D+00 -0.174885D+01 -0.608546D+00
      2  -0.234094D+01 -0.917409D+00 -0.168986D+01 -0.165640D+01 -0.987254D+00
      3   0.972118D+00 -0.174885D+01 -0.165640D+01 -0.198733D+01 -0.799470D+00
               221           222           223           224           225 
      1  -0.987254D+00 -0.799470D+00 -0.262011D+01 -0.132623D+01 -0.211519D+01
      2  -0.368948D+01 -0.215352D+01 -0.132623D+01 -0.299662D+01 -0.401284D+01
      3  -0.215352D+01 -0.215338D+01 -0.211519D+01 -0.401284D+01 -0.625526D+01
               226           227           228           229           230 
      1  -0.486572D+01  0.335167D+01  0.169681D+01  0.299851D+01 -0.227229D+01
      2   0.335167D+01 -0.251874D+01 -0.149143D+01 -0.227229D+01  0.470945D+01
      3   0.169681D+01 -0.149143D+01 -0.132493D+01 -0.102819D+01  0.167954D+01
               231           232           233           234 
      1  -0.102819D+01  0.205057D+01 -0.169379D+01 -0.154504D+01
      2   0.167954D+01 -0.169379D+01  0.228733D+01  0.693185D+00
      3   0.117323D+01 -0.154504D+01  0.693185D+00  0.103430D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.852045D+00  0.699601D+00 -0.101832D+01  0.982645D+00  0.979246D+01
      2  -0.336689D+01 -0.204990D+00 -0.333983D+01 -0.109962D+00 -0.426377D+01
      3   0.360849D+00 -0.331465D+01  0.190816D+01  0.757163D+01  0.915859D+01
                 6             7             8             9            10 
      1  -0.127782D+01  0.158706D+01  0.209559D+01  0.545268D+00 -0.119574D+01
      2   0.864003D-01 -0.131096D+02 -0.330345D+01 -0.590155D+01 -0.207667D+01
      3   0.334087D+01  0.593419D+01 -0.536930D+00  0.410047D+01 -0.142601D+01
                11            12            13            14            15 
      1  -0.354497D+01 -0.643924D+00 -0.206313D+01 -0.921197D+01 -0.425508D+01
      2   0.433112D+01 -0.113202D+01  0.230621D+01  0.570607D+00  0.171880D+01
      3  -0.532296D+01 -0.364934D+01  0.733869D+01 -0.126122D+02  0.241488D+01
                16            17            18            19            20 
      1  -0.436313D+01  0.202859D+01 -0.220880D+01  0.165120D+01  0.359556D+01
      2  -0.646826D+01  0.669269D+01 -0.751172D+00 -0.240326D+01 -0.921350D+00
      3  -0.724740D+01  0.313715D+01 -0.529935D+01 -0.986869D+00 -0.420749D+01
                21            22            23            24            25 
      1   0.221554D+01  0.218500D+01 -0.952886D+01  0.425907D+01  0.417832D+01
      2   0.417733D+00 -0.189450D+01 -0.626653D+00 -0.341883D+01 -0.598297D+01
      3   0.383242D+00  0.440643D+01  0.133711D+02 -0.103248D+01  0.183713D+01
                26            27            28            29            30 
      1   0.165926D+02  0.360953D+01 -0.370596D-02 -0.411566D+00  0.275385D+00
      2  -0.431264D+01 -0.186314D+01 -0.204841D+00  0.596195D+01  0.314662D+01
      3  -0.301455D+01  0.291060D+01 -0.118379D+02 -0.189216D+02 -0.505050D+01
                31            32            33            34            35 
      1  -0.145182D+00 -0.363656D+01 -0.663057D-01  0.142502D+01  0.110766D+02
      2   0.673543D+01  0.372014D+01  0.814541D+01 -0.242075D+01  0.752489D+01
      3  -0.141516D+02 -0.427502D+02 -0.282618D+01 -0.720202D+01 -0.360677D+01
                36            37            38            39            40 
      1   0.224969D+01  0.141330D+01  0.431364D+01  0.362146D+01  0.350806D+01
      2   0.571276D+01 -0.452800D+01 -0.108995D+02 -0.480399D+01 -0.753270D+01
      3  -0.850823D+01 -0.261774D+01  0.116170D+02  0.879542D+01  0.245343D+02
                41            42            43            44            45 
      1  -0.276149D+01  0.132845D+01  0.789179D+01  0.842658D+01  0.246156D+01
      2   0.966701D+01 -0.912165D+01 -0.191130D+02 -0.186490D+02 -0.576140D+01
      3   0.138482D+02 -0.128124D+02  0.662941D+01 -0.152607D+02  0.114468D+02
                46            47            48            49            50 
      1   0.324769D-01 -0.230639D+01 -0.133398D+01 -0.131329D+01  0.504291D+01
      2  -0.177485D+01 -0.486066D+01 -0.299541D+01 -0.343307D+01 -0.106665D+01
      3   0.533910D+01  0.781979D+01  0.447553D+01  0.194803D+02  0.464199D+02
                51            52            53            54            55 
      1  -0.344118D+01  0.593900D+00  0.128999D+01 -0.706510D+00  0.157212D+01
      2  -0.678277D+01 -0.127554D+02 -0.118767D+02 -0.439518D+01 -0.167630D+01
      3   0.280196D+01  0.657943D+01  0.250932D+01  0.105512D+02 -0.412832D+01
                56            57            58            59            60 
      1   0.602021D+01  0.219791D+01  0.327947D+01 -0.476149D+01  0.592423D+01
      2   0.592905D+00  0.172101D+01  0.277225D+00  0.931855D+00  0.670890D-01
      3  -0.893838D+01 -0.295336D+01 -0.211837D+01 -0.128244D+02 -0.253892D+01
                61            62            63            64            65 
      1   0.583450D+01  0.206144D+02  0.614522D+01  0.203537D+01  0.267939D+01
      2  -0.261030D+01 -0.186323D+01  0.925313D+00  0.134065D+02 -0.316855D+01
      3  -0.493238D+01 -0.500663D+01 -0.550380D+01  0.896886D-01 -0.768739D+01
                66            67            68            69            70 
      1   0.169881D+01 -0.405657D+01  0.112582D+01 -0.551468D+01  0.301505D+00
      2   0.138479D+02 -0.180684D+00  0.643526D+01  0.117133D+01  0.344119D+01
      3   0.691787D+00 -0.584816D+01  0.716413D+01 -0.549623D+01 -0.419836D+00
                71            72            73            74            75 
      1   0.545384D+01 -0.489729D+00  0.474287D+00 -0.766634D+00  0.118222D+01
      2   0.881020D+00 -0.155619D+01  0.268097D+01 -0.104637D+01  0.117125D+01
      3  -0.474770D+01 -0.178803D+01 -0.619915D+00 -0.107872D+01  0.435361D+00
                76            77            78            79            80 
      1  -0.106772D+00  0.118979D+01 -0.560369D+00  0.679762D+00  0.330247D+01
      2  -0.195337D+01 -0.984783D+00 -0.181860D+01 -0.377277D+01 -0.598693D+00
      3   0.278367D+01  0.517863D+00  0.129147D+01  0.198593D+01  0.214065D+01
                81            82            83            84            85 
      1  -0.156038D+01  0.108998D+01 -0.352078D+00 -0.185019D+01  0.350768D+00
      2  -0.163857D+01  0.225142D+01 -0.619662D+00  0.264750D+01  0.800666D-01
      3   0.473467D+00  0.359421D+01 -0.184179D+01 -0.233689D+00  0.290318D+01
                86            87            88            89            90 
      1  -0.145567D+01 -0.155038D+01 -0.140408D+01  0.148087D+01  0.286267D+01
      2  -0.958000D+00  0.111423D+01 -0.205460D+01  0.563937D-01 -0.210850D+01
      3  -0.250215D+01  0.829072D+00 -0.174166D+01  0.165601D+01  0.985448D+00
                91            92            93            94            95 
      1  -0.311430D+01 -0.136813D+01 -0.260574D+01 -0.195853D+01 -0.996079D+00
      2   0.734409D+01  0.432750D+01  0.812412D+01  0.413893D+01  0.404009D+01
      3  -0.247312D+01 -0.569304D+01 -0.247232D+01 -0.605530D+01 -0.858660D+01
                96            97            98            99           100 
      1  -0.301143D+01 -0.449254D+01 -0.222377D+01 -0.533127D+01  0.209693D+01
      2   0.666935D+01  0.968726D+01  0.960956D+01  0.164479D+02 -0.380373D+01
      3  -0.255023D+01 -0.356408D+01 -0.618486D+01 -0.638463D+01  0.108291D+02
               101           102           103           104           105 
      1  -0.167472D+01 -0.943222D+00 -0.157679D+01  0.225807D+01 -0.258917D+00
      2   0.206048D+01  0.615768D+01  0.329401D+01 -0.302062D+01 -0.448535D+01
      3  -0.818827D+01 -0.393201D+01 -0.785219D+01  0.998229D+01  0.437488D+01
               106           107           108           109           110 
      1  -0.185525D+01  0.158599D+01  0.723653D+00 -0.192036D+00 -0.795314D+00
      2   0.436506D+01 -0.127664D+01 -0.465010D+01 -0.147824D+01  0.168177D+01
      3  -0.461463D+01  0.514637D+01  0.260046D+01 -0.285841D+01 -0.712276D+00
               111           112           113           114           115 
      1  -0.282853D+00  0.857448D+00  0.780974D+00 -0.384773D+01 -0.228391D+01
      2   0.110642D+01 -0.119684D+01 -0.101239D+02  0.910342D+01  0.337776D+01
      3  -0.115977D+01 -0.559897D+01 -0.215607D+02  0.101056D+02  0.139152D+01
               116           117           118           119           120 
      1  -0.139312D+01  0.295875D+01 -0.405811D+01 -0.305390D+01 -0.363737D+01
      2   0.105625D+02 -0.977261D+01 -0.125900D+01 -0.912432D+00  0.758445D+00
      3   0.133351D+02 -0.965177D+01  0.565103D+01  0.188712D+01  0.346993D+01
               121           122           123           124           125 
      1  -0.114446D+01 -0.473747D+01 -0.612755D+01 -0.355464D+01 -0.863180D+01
      2  -0.534835D+00 -0.981778D+00  0.930008D-01 -0.204414D+01 -0.585340D+00
      3   0.575005D+01  0.622663D+01  0.207060D+01  0.938816D+01  0.470065D+01
               126           127           128           129           130 
      1  -0.123005D+02  0.143901D+01 -0.187851D+01  0.165163D+00  0.279730D+00
      2  -0.886816D+00  0.614371D+00  0.722858D+00  0.956927D+00  0.223671D+00
      3   0.413341D+01 -0.103354D+01  0.951910D+00 -0.119484D+01  0.765877D+01
               131           132           133           134           135 
      1   0.643429D+01 -0.685493D+01 -0.215878D+01 -0.682750D+01  0.585609D+01
      2  -0.762305D+00 -0.139177D+00 -0.174286D+01  0.559694D-01  0.551269D-01
      3   0.503402D+01 -0.256349D+00 -0.434589D+01 -0.389686D+00  0.215793D+01
               136           137           138           139           140 
      1  -0.666127D+01 -0.426017D+01 -0.291479D+01 -0.686840D+01  0.762340D+01
      2  -0.173005D+02  0.301979D+01  0.447531D+01  0.351412D+01 -0.202608D+01
      3   0.116613D+00  0.148343D+01  0.254071D+01  0.845779D+01 -0.590555D+01
               141           142           143           144           145 
      1  -0.137693D+02 -0.236055D+01 -0.661015D+01 -0.313485D+01 -0.138598D+01
      2  -0.669585D+00  0.818253D+00 -0.102647D+01  0.540774D+01 -0.931664D+01
      3   0.743925D+01  0.233959D+01  0.525836D+01  0.337438D+01  0.656974D+01
               146           147           148           149           150 
      1  -0.266802D+00 -0.171607D+01  0.323500D+00 -0.203623D+01 -0.211760D+01
      2  -0.179194D+01 -0.899226D+01 -0.237212D+01 -0.952551D+01 -0.606254D+01
      3   0.115303D+02  0.299190D+01  0.233944D+02 -0.153685D+02  0.893517D+01
               151           152           153           154           155 
      1  -0.256039D+01  0.146519D+01  0.308845D+01  0.323519D+01 -0.248037D+01
      2  -0.175720D+02 -0.495491D+01  0.169483D+02  0.204364D+02 -0.227095D+01
      3   0.349257D+01  0.874667D+01  0.729485D+01  0.297450D+01 -0.130175D+01
               156           157           158           159           160 
      1  -0.461597D+00 -0.124823D+01  0.107944D-01  0.700393D+00 -0.158896D+01
      2  -0.161437D+01 -0.258021D+01  0.702408D+00  0.618682D+00 -0.589868D+01
      3  -0.297761D+00  0.177115D+01  0.266252D+00 -0.565037D+00 -0.220787D+00
               161           162           163           164           165 
      1   0.175602D+01  0.182814D+00  0.366735D+01  0.452417D+01  0.276044D+01
      2   0.110792D+01  0.229084D+01 -0.121416D+01 -0.103498D+01  0.251796D+01
      3   0.304872D-01  0.336673D+00 -0.195590D+01 -0.369100D+01 -0.216227D+01
               166           167           168           169           170 
      1   0.361882D+01  0.533913D+01  0.463230D+01  0.299050D+01  0.591698D+01
      2  -0.297624D+01  0.829582D+00  0.299745D+01 -0.279233D+01  0.687413D+00
      3  -0.123137D+01 -0.343215D+01 -0.374846D+01 -0.135079D+01 -0.328622D+01
               171           172           173           174           175 
      1   0.555441D+01 -0.865814D+00  0.252603D+01  0.606174D+00  0.314936D+01
      2   0.309737D+01  0.760772D+00  0.546376D+00  0.101666D+01  0.297987D+01
      3  -0.344527D+01  0.814031D+00 -0.215190D+01  0.344615D+00  0.128549D+01
               176           177           178           179           180 
      1  -0.126117D+02  0.242301D+01 -0.417917D+00  0.442677D+01 -0.185652D+01
      2   0.269995D+01 -0.415287D+01 -0.141058D+01 -0.141026D+01  0.161765D+01
      3   0.931718D+01 -0.496093D+01 -0.530443D+00 -0.267691D+01  0.197479D+01
               181           182           183           184           185 
      1  -0.858934D+00 -0.534173D+00  0.792958D+00 -0.138096D+00 -0.455667D+00
      2  -0.437381D+01  0.139409D+00  0.608804D+01  0.947474D-01 -0.125248D+01
      3  -0.164276D+01 -0.233150D+01  0.785461D+00 -0.202198D+01 -0.150445D+00
               186           187           188           189           190 
      1  -0.239656D+00  0.128928D+01  0.306221D+01 -0.348909D+01  0.445904D+00
      2   0.310153D+01  0.568830D+01  0.206037D+01 -0.231374D+02  0.220438D+01
      3   0.186371D+01  0.936671D+00  0.407541D+01 -0.314248D+01  0.463522D+01
               191           192           193           194           195 
      1  -0.239343D+00  0.853115D+00 -0.257001D+00  0.124857D+01 -0.361369D+01
      2  -0.108577D+01  0.293606D+01 -0.154595D+01  0.484229D+01 -0.539937D+01
      3  -0.685786D+01  0.552891D+00 -0.925388D+01  0.242655D+02 -0.429585D+01
               196           197           198           199           200 
      1   0.650928D+00  0.137148D+00  0.686178D+00  0.118457D+01  0.796403D+00
      2   0.254180D+01 -0.277375D+01  0.139561D+01  0.734310D+01  0.298677D+01
      3   0.595358D+00 -0.479832D+01  0.232005D+01 -0.942063D+01 -0.842422D+01
               201           202           203           204           205 
      1   0.142662D+00  0.757687D+00  0.103262D+01 -0.782263D+00  0.101628D+01
      2   0.790104D+01  0.432098D+01  0.491102D+01  0.705470D+01  0.649121D+01
      3  -0.387243D+01 -0.915588D+01 -0.836678D+01 -0.535876D+01 -0.477988D+01
               206           207           208           209           210 
      1   0.160460D+01  0.118440D+00  0.225946D+01 -0.893365D+00  0.275038D+00
      2   0.395490D+01  0.703586D+01 -0.742630D+00  0.458355D+00  0.143858D+01
      3  -0.687934D+01 -0.492041D+01 -0.181569D+01  0.234693D+00 -0.147524D+01
               211           212           213           214           215 
      1   0.708034D+00  0.992491D+01 -0.616153D+01 -0.101813D+01 -0.697775D+01
      2  -0.122278D+01 -0.246560D+01  0.155687D+01  0.622095D+00  0.275947D+01
      3   0.548785D+01 -0.105396D+02  0.117413D+01 -0.464867D+01  0.523659D+01
               216           217           218           219           220 
      1   0.491595D+01 -0.215062D+01 -0.154321D+01 -0.262903D+01 -0.303308D+00
      2  -0.199447D+01 -0.512445D+00  0.886452D+00  0.167604D+01 -0.571559D+00
      3  -0.211683D+01  0.277838D+01 -0.270039D+01  0.906809D-01  0.191768D+01
               221           222           223           224           225 
      1   0.485444D+00 -0.292685D+01 -0.142362D+01 -0.266321D+01 -0.755917D+01
      2   0.146508D+01  0.171580D+01 -0.340751D+01  0.314002D+01  0.491502D+01
      3  -0.394743D+01 -0.106602D+01  0.360074D+01 -0.201375D+01 -0.204418D+01
               226           227           228           229           230 
      1  -0.125860D+01  0.121462D+01  0.325022D+01  0.870809D+00 -0.129933D+01
      2  -0.701555D+00  0.230483D+01  0.442546D+01  0.139545D+00 -0.275721D+01
      3  -0.304949D+01 -0.134010D+01 -0.215046D+00  0.270952D+01  0.509061D+01
               231           232           233           234 
      1  -0.254309D+01  0.315691D+01  0.219184D+01 -0.211894D+01
      2  -0.316331D+01  0.195963D+01  0.142261D+01 -0.174055D+01
      3   0.117449D+01  0.887742D+00  0.242955D+01 -0.185555D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.111502D+02 -0.506764D+01 -0.968509D+01 -0.405831D+01 -0.337590D+01
      2   0.755443D+01  0.157103D+01  0.883547D+00  0.354975D-01  0.772775D+01
      3   0.359578D+01  0.349661D+01  0.880154D+01  0.402282D+01 -0.435185D+01
      4   0.171620D+01 -0.122924D+00 -0.194060D+01 -0.261260D+01 -0.378647D+01
      5   0.281597D-01 -0.432815D+01 -0.843377D+01  0.990130D+00  0.536190D-01
      6  -0.168314D+01  0.103134D+01  0.524088D+01  0.288662D+01  0.401125D+01
                 6             7             8             9            10 
      1   0.605756D+01 -0.178749D+02 -0.639806D+00 -0.293888D+01 -0.597286D+01
      2  -0.152045D+01  0.558127D+01  0.255544D+01  0.555703D+01  0.578740D+01
      3  -0.453711D+01  0.122936D+02 -0.191563D+01 -0.261815D+01  0.185456D+00
      4  -0.207888D+00 -0.441162D+01  0.665245D+01  0.762919D+01 -0.350752D+00
      5   0.535601D+01 -0.735756D+01  0.615871D+01  0.802712D+01  0.372154D+01
      6  -0.342164D+01  0.795138D+01 -0.341579D+01 -0.602209D+01  0.456296D+01
                11            12            13            14            15 
      1   0.728951D+01 -0.489215D+01  0.633985D+01 -0.974186D+01  0.396188D+00
      2  -0.576767D+00  0.349635D+01 -0.171334D+01  0.121591D+02  0.121052D+01
      3  -0.671274D+01  0.139579D+01 -0.462651D+01 -0.241721D+01 -0.160671D+01
      4  -0.480801D+01  0.961294D+01 -0.867357D+01  0.762789D+01  0.602585D+01
      5   0.791884D+01 -0.814624D+01  0.253788D+01  0.281951D+01 -0.338927D+01
      6   0.245382D+01 -0.582481D+01  0.604075D+01  0.947171D+00 -0.823704D+00
                16            17            18            19            20 
      1  -0.627269D+01  0.116323D+02 -0.672008D+01  0.107831D+00  0.828372D+01
      2   0.456446D+01 -0.664656D+01  0.666803D+01  0.225397D+01 -0.197907D+01
      3   0.170823D+01 -0.498576D+01  0.520537D-01 -0.236181D+01 -0.630465D+01
      4   0.154049D+02  0.584530D+01 -0.200580D+01  0.333650D+01  0.162777D+01
      5  -0.812086D+01 -0.299975D+01  0.419495D+01 -0.283368D+01 -0.280851D+01
      6  -0.627934D+01 -0.854313D+00  0.333844D+01 -0.630438D+00 -0.509638D+01
                21            22            23            24            25 
      1   0.605776D+01  0.123942D+02  0.191319D+02 -0.371617D+01  0.651539D+01
      2  -0.127365D+01 -0.692241D+01 -0.232061D+02  0.100254D+02 -0.343562D+00
      3  -0.478411D+01 -0.547174D+01  0.407416D+01 -0.630921D+01 -0.617183D+01
      4  -0.501916D+01 -0.215395D+00 -0.167322D+02 -0.508999D+01 -0.572280D+01
      5  -0.670190D+01 -0.371414D+01 -0.463852D+01 -0.875916D+01 -0.874540D+01
      6  -0.696247D+01 -0.363351D+01  0.196184D+01 -0.910065D+01 -0.963966D+01
                26            27            28            29            30 
      1  -0.393727D+01  0.780919D+01  0.184759D+02  0.131293D+02  0.224654D+01
      2   0.192861D+02 -0.127389D+01 -0.135864D+02 -0.734974D+01 -0.293557D+01
      3  -0.153488D+02 -0.653530D+01 -0.488946D+01 -0.577960D+01  0.689032D+00
      4  -0.675316D+01 -0.153354D+02  0.459648D+01  0.193590D+02  0.616723D+01
      5  -0.141219D+02 -0.131618D+02  0.446388D+01  0.462248D+01  0.568735D+01
      6  -0.194478D+02 -0.146292D+02  0.749862D+00 -0.584853D+00 -0.241080D+01
                31            32            33            34            35 
      1   0.128069D+02  0.301772D+02  0.803708D+01  0.774989D+01  0.789067D+01
      2  -0.899728D+01 -0.227004D+02 -0.238514D+01 -0.723041D+01 -0.538946D+01
      3  -0.380960D+01 -0.747675D+01 -0.565195D+01 -0.519479D+00 -0.250120D+01
      4   0.220369D+02  0.518913D+02  0.188195D+01  0.598034D+01  0.295825D+01
      5   0.517200D+01  0.797827D-01  0.916011D+01  0.155798D+02  0.110649D+02
      6  -0.105482D+01  0.315382D+01  0.172304D+01 -0.884582D-01  0.828808D+01
                36            37            38            39            40 
      1   0.793554D+01 -0.165066D+02  0.334765D+01 -0.322150D+01  0.116173D+02
      2  -0.136480D+02  0.131006D+02 -0.317181D+01  0.268325D+00 -0.797507D+01
      3   0.571245D+01  0.340594D+01 -0.175846D+00  0.295318D+01 -0.364219D+01
      4   0.834066D+01  0.582414D+01 -0.213570D+02 -0.185564D+02 -0.329567D+02
      5   0.898670D+01 -0.599789D+01 -0.198013D+02 -0.150883D+02 -0.179683D+02
      6  -0.191585D+01 -0.741399D+01 -0.416554D+01 -0.352043D+01  0.197927D+01
                41            42            43            44            45 
      1  -0.229354D+02 -0.225949D+02 -0.928787D+01 -0.273790D+02 -0.177715D+02
      2   0.110999D+02  0.152578D+02  0.437112D+01  0.190343D+02  0.752609D+01
      3   0.118355D+02  0.733712D+01  0.491676D+01  0.834473D+01  0.102454D+02
      4  -0.246114D+02  0.148690D+02 -0.205868D+02  0.141826D+02 -0.248730D+02
      5   0.187733D+02 -0.169814D+02 -0.313469D+02 -0.289788D+02 -0.104683D+02
      6   0.105697D+02 -0.122800D+02 -0.100374D+02 -0.180714D+02 -0.874911D+00
                46            47            48            49            50 
      1  -0.193795D+02 -0.131285D+02 -0.225533D+01 -0.245286D+02 -0.416298D+02
      2   0.117485D+02  0.135532D+02  0.285377D+01  0.219489D+02  0.392260D+02
      3   0.763096D+01 -0.424662D+00 -0.598435D+00  0.257971D+01  0.240381D+01
      4   0.544395D+01 -0.165298D+02 -0.124514D+02 -0.237038D+02 -0.363892D+02
      5   0.822654D+01 -0.962265D+01 -0.390054D+01 -0.783504D+01  0.629057D+01
      6  -0.610123D+01  0.800307D+01  0.309881D+01  0.728493D+01 -0.965838D+01
                51            52            53            54            55 
      1  -0.416393D+01 -0.362740D+01 -0.857871D+01 -0.162986D+02  0.452070D+01
      2   0.443878D+00  0.394796D+01 -0.428561D+01  0.351596D+01 -0.320167D+01
      3   0.372006D+01 -0.320557D+00  0.128643D+02  0.127826D+02 -0.131903D+01
      4   0.850723D+01 -0.181646D+02  0.139910D+02 -0.105314D+02  0.994196D+00
      5  -0.741044D+01 -0.225568D+01 -0.101182D+02 -0.180340D+01 -0.319065D+01
      6   0.298289D+01  0.497361D+01  0.158141D+02  0.957338D+00 -0.183161D+01
                56            57            58            59            60 
      1   0.942892D+01  0.798403D+01  0.102766D+02  0.389899D+02 -0.444745D+01
      2  -0.108592D+02 -0.986299D+01 -0.114901D+02 -0.412921D+02  0.869101D+01
      3   0.143029D+01  0.187896D+01  0.121354D+01  0.230224D+01 -0.424356D+01
      4   0.310264D+01  0.262140D+00  0.642943D+01  0.332243D+01 -0.102502D+02
      5  -0.249325D+00 -0.265056D+01  0.368136D+00 -0.651694D+01  0.967809D+00
      6  -0.104951D+02 -0.307609D+01 -0.596381D+01  0.120565D+02 -0.169368D+02
                61            62            63            64            65 
      1   0.860142D+01 -0.675414D+01  0.219677D+02 -0.663391D+00  0.311121D+01
      2  -0.811656D+01  0.137981D+02 -0.239880D+02 -0.474649D+01 -0.292054D+01
      3  -0.484856D+00 -0.704391D+01  0.202035D+01  0.540988D+01 -0.190675D+00
      4  -0.125669D+01 -0.138129D+02 -0.217481D+01  0.238548D+01  0.365327D+01
      5  -0.144485D+01 -0.239341D+01 -0.372398D+01  0.110769D+02 -0.100182D+01
      6  -0.867438D+01 -0.345819D+02 -0.694279D+01 -0.204819D+01  0.355885D+01
                66            67            68            69            70 
      1   0.114277D+02  0.507269D+01  0.134360D+02  0.155374D+00  0.202171D+02
      2  -0.870387D+01 -0.297973D+01 -0.907589D+01 -0.141386D+01 -0.137296D+02
      3  -0.272387D+01 -0.209296D+01 -0.436012D+01  0.125849D+01 -0.648746D+01
      4  -0.352456D+01  0.157598D+02 -0.131299D+02  0.711207D+01 -0.526410D+01
      5   0.128021D+02 -0.396122D+00  0.795929D+01  0.178447D+01  0.172429D+02
      6  -0.108310D+01 -0.194790D+00 -0.442567D+01  0.239395D+01 -0.287398D+01
                71            72            73            74            75 
      1  -0.251073D+01  0.144459D+02  0.162450D+01  0.596122D+00  0.334930D+01
      2   0.569851D-01 -0.105021D+02 -0.430630D+01  0.107891D+01  0.373371D+01
      3   0.245374D+01 -0.394381D+01  0.268180D+01 -0.167503D+01 -0.708301D+01
      4   0.458894D+01 -0.153843D+01 -0.639658D+01  0.627301D+01  0.489502D+01
      5   0.457619D+00 -0.196445D+01 -0.802936D+01  0.505931D+01  0.122122D+02
      6   0.359551D+01  0.807174D+00  0.506476D+01 -0.415516D+01 -0.591904D+01
                76            77            78            79            80 
      1   0.280012D+00 -0.840859D+01 -0.844213D+01  0.268135D+01 -0.770246D+01
      2   0.969149D+00  0.324182D+01  0.411116D+00  0.368789D+01 -0.120669D+01
      3  -0.124916D+01  0.516677D+01  0.803102D+01 -0.636924D+01  0.890915D+01
      4   0.431413D+01 -0.454293D+01 -0.530745D+01  0.478980D+01 -0.613529D+01
      5   0.412353D+01 -0.554139D+01 -0.668912D+01  0.953716D+01 -0.740046D+01
      6  -0.303847D+01  0.914818D+01  0.119681D+02 -0.493631D+01  0.121763D+02
                81            82            83            84            85 
      1  -0.175960D+02  0.862227D+01  0.872407D-01  0.120953D+00 -0.701965D+00
      2  -0.950637D+01 -0.618508D+01  0.757489D+00  0.218232D+01  0.921562D+00
      3   0.271023D+02 -0.243719D+01 -0.844730D+00 -0.230327D+01 -0.219597D+00
      4  -0.858412D+01  0.134715D+02  0.123733D+02 -0.946213D+01  0.956531D+01
      5  -0.162694D+02 -0.121637D+02 -0.829768D+01  0.126745D+02 -0.643317D+01
      6   0.174208D+02 -0.821946D+01 -0.764324D+01  0.799927D+01 -0.632215D+01
                86            87            88            89            90 
      1  -0.621127D+01  0.322268D+01 -0.886192D+00  0.260535D+01 -0.528549D+01
      2   0.746632D+01 -0.180175D+01  0.309747D+01 -0.433466D+00 -0.390511D+01
      3  -0.125505D+01 -0.142093D+01 -0.221127D+01 -0.217188D+01  0.919059D+01
      4   0.130850D+02 -0.869715D+01 -0.925292D+01 -0.987071D+01  0.104633D+02
      5  -0.805603D+01  0.652328D+01  0.112684D+02  0.883800D+01 -0.132127D+02
      6  -0.116063D+02  0.105636D+02  0.843944D+01  0.119947D+02 -0.134600D+02
                91            92            93            94            95 
      1   0.329840D+02  0.118159D+02  0.146956D+02  0.138875D+02  0.113632D+02
      2  -0.178478D+02 -0.452713D+01 -0.758035D+01 -0.505904D+01 -0.259489D+01
      3  -0.151362D+02 -0.728874D+01 -0.711525D+01 -0.882842D+01 -0.876835D+01
      4   0.157276D+02  0.134117D+02  0.101176D+02  0.208046D+02  0.204749D+02
      5   0.187272D+02  0.100540D+02  0.172217D+02  0.985842D+01  0.842664D+01
      6   0.588875D+01  0.315275D+01  0.430653D+01  0.391740D+01  0.388728D+01
                96            97            98            99           100 
      1   0.638419D+01  0.332036D+02  0.142719D+02  0.146950D+02  0.480079D+02
      2  -0.201847D+01 -0.187322D+02 -0.655297D+01 -0.116173D+02 -0.278119D+02
      3  -0.436572D+01 -0.144714D+02 -0.771897D+01 -0.307775D+01 -0.201960D+02
      4   0.872568D+01  0.212421D+02  0.172962D+02  0.177441D+02 -0.145815D+02
      5   0.126327D+02  0.285487D+02  0.200710D+02  0.334436D+02 -0.152313D+02
      6   0.742676D+01  0.882485D+01  0.104495D+02  0.104859D+02  0.139786D+01
               101           102           103           104           105 
      1  -0.153982D+02 -0.113564D+02 -0.345774D+02  0.126103D+02  0.888004D+01
      2   0.961576D+01  0.828761D+01  0.198927D+02 -0.642222D+01 -0.706194D+01
      3   0.578248D+01  0.306876D+01  0.146847D+02 -0.618810D+01 -0.181810D+01
      4   0.121169D+02  0.520727D+01  0.174618D+02 -0.164904D+02 -0.701235D+01
      5   0.622092D+01  0.134861D+02  0.125091D+02 -0.751866D+01 -0.959000D+01
      6  -0.594499D+00  0.325294D+00 -0.172457D+01  0.190839D+01  0.283738D+01
               106           107           108           109           110 
      1  -0.174405D+02  0.648300D+01  0.103061D+02  0.318823D+01  0.645129D+01
      2   0.123307D+02 -0.550934D+01 -0.889993D+01 -0.174389D+01 -0.388345D+01
      3   0.510975D+01 -0.973663D+00 -0.140622D+01 -0.144434D+01 -0.256785D+01
      4   0.645085D+01 -0.695067D+01 -0.344951D+01  0.439538D+01  0.476148D+01
      5   0.172555D+02 -0.388430D+01 -0.115111D+02 -0.279849D+01 -0.321756D+00
      6  -0.583214D+00  0.368285D+01  0.109967D+01 -0.201134D+01  0.116414D+01
               111           112           113           114           115 
      1  -0.394057D+01  0.130756D+02 -0.158393D+01  0.536314D+01 -0.822544D+01
      2   0.173528D+01 -0.451946D+01  0.115643D+02 -0.504842D+01  0.450760D+01
      3   0.220528D+01 -0.855611D+01 -0.998032D+01 -0.314715D+00  0.371784D+01
      4  -0.661739D+00  0.209125D+02  0.390491D+02 -0.175958D+02 -0.842162D+01
      5   0.438558D+01 -0.722233D+01 -0.198398D+02  0.173458D+02  0.152865D+02
      6   0.354563D+00 -0.600742D+01 -0.175981D+02  0.131674D+02  0.676234D+01
               116           117           118           119           120 
      1   0.651112D+01 -0.124827D+01 -0.253556D+01 -0.620770D+01 -0.432982D+01
      2  -0.610839D+01 -0.187573D+01  0.265536D+01  0.802585D+01  0.424051D+01
      3  -0.402738D+00  0.312400D+01 -0.119798D+00 -0.181815D+01  0.893139D-01
      4  -0.218276D+02  0.181196D+02  0.569184D+01  0.781006D+01  0.489403D+01
      5   0.212588D+02 -0.186491D+02  0.244444D+01  0.327375D+01  0.467368D+01
      6   0.161653D+02 -0.128253D+02  0.678506D+01  0.702007D+01  0.567435D+01
               121           122           123           124           125 
      1  -0.529995D+01 -0.229767D+02 -0.848121D+01 -0.698085D+01 -0.188430D+02
      2   0.696414D+01  0.280013D+02  0.934595D+01  0.578094D+01  0.190062D+02
      3  -0.166419D+01 -0.502464D+01 -0.864743D+00  0.119991D+01 -0.163163D+00
      4   0.377468D+01  0.347732D+01  0.342385D+01  0.584651D+01  0.579036D+01
      5   0.164404D+01  0.259598D+01  0.109852D+01  0.509994D+01  0.362761D+01
      6   0.420411D+01  0.135898D+02  0.140734D+02  0.739819D+01  0.261060D+02
               126           127           128           129           130 
      1  -0.185105D+02 -0.129976D+01  0.285052D+01 -0.200034D+01 -0.340903D+01
      2   0.131844D+02  0.418834D+01 -0.560667D+01  0.234184D+01  0.158111D+01
      3   0.532614D+01 -0.288858D+01  0.275614D+01 -0.341505D+00  0.182792D+01
      4   0.412487D+01 -0.369309D+01  0.100057D+02 -0.369821D+01  0.561145D+01
      5   0.307160D+01  0.205344D+01 -0.233550D+01  0.360618D+01 -0.187567D+01
      6   0.229373D+02 -0.424903D+01  0.452939D+01 -0.870035D+00  0.668110D+00
               131           132           133           134           135 
      1  -0.414066D+02  0.132431D+02  0.411644D+00  0.222542D+02 -0.162239D+02
      2   0.576996D+02 -0.170983D+02  0.822768D+00 -0.271293D+02  0.148042D+02
      3  -0.162931D+02  0.385519D+01 -0.123441D+01  0.487510D+01  0.141977D+01
      4  -0.924129D+01  0.408246D+01 -0.388042D+01  0.531387D+01 -0.311686D+01
      5   0.305528D+01 -0.141618D+01  0.314850D+01 -0.171470D+01  0.222159D+01
      6  -0.263961D+02  0.163776D+02  0.187127D+01  0.263532D+02 -0.160098D+02
               136           137           138           139           140 
      1   0.146472D+02 -0.461306D+01  0.569210D+00 -0.691180D+01  0.608509D+01
      2  -0.647307D+00  0.649859D+01  0.749542D+01  0.102546D+02 -0.167370D+01
      3  -0.139999D+02 -0.188553D+01 -0.806463D+01 -0.334281D+01 -0.441138D+01
      4  -0.816805D+01 -0.305711D+01 -0.197214D+01 -0.897955D+01  0.140954D+02
      5   0.222855D+01 -0.653434D+01 -0.141800D+02 -0.809530D+01 -0.186070D+02
      6  -0.518323D+01 -0.856517D+01 -0.275992D+01 -0.126205D+02  0.185297D+02
               141           142           143           144           145 
      1  -0.404181D+01 -0.112441D+01 -0.191902D+01 -0.108563D+02  0.748989D+01
      2   0.135568D+02  0.765018D+01  0.100250D+02  0.284848D+01 -0.282179D+01
      3  -0.951504D+01 -0.652576D+01 -0.810602D+01  0.800782D+01 -0.466810D+01
      4  -0.148353D+02 -0.836511D+00 -0.984882D+01 -0.331645D+01 -0.153293D+02
      5  -0.826896D+01 -0.184944D+02 -0.575832D+01 -0.933435D+01 -0.184215D+02
      6  -0.176327D+02 -0.218957D+01 -0.136806D+02 -0.793857D+01  0.777023D+00
               146           147           148           149           150 
      1  -0.161949D+02 -0.162222D+02 -0.214576D+02 -0.201079D+02 -0.785821D+01
      2   0.129234D+02  0.651928D+01  0.193807D+02  0.225013D+00  0.653339D+01
      3   0.327155D+01  0.970289D+01  0.207691D+01  0.198829D+02  0.132482D+01
      4  -0.208165D+02 -0.334952D+01 -0.354911D+02  0.326991D+02 -0.165267D+02
      5  -0.362021D+01 -0.175075D+02 -0.550763D+01 -0.150205D+02 -0.116318D+02
      6  -0.171008D+01  0.685861D+00 -0.244151D+01  0.239895D+01 -0.656725D+00
               151           152           153           154           155 
      1  -0.218865D+02 -0.710102D+01 -0.185158D+02 -0.854299D+01  0.345690D+00
      2   0.639301D+01  0.599659D+01  0.159689D+02  0.128811D+01 -0.931714D-01
      3   0.154935D+02  0.110443D+01  0.254688D+01  0.725488D+01 -0.252519D+00
      4  -0.440532D+01 -0.170227D+02 -0.931832D+01  0.516220D+01  0.299954D+00
      5  -0.239888D+02 -0.989646D+01  0.304935D+02 -0.135816D+02  0.141636D+01
      6   0.627775D+00  0.130579D+01 -0.357394D+01  0.134198D+01 -0.306362D+01
               156           157           158           159           160 
      1   0.907696D+01  0.175378D+01 -0.235590D+01 -0.129409D+01  0.460169D+01
      2   0.303509D+01 -0.516040D+00  0.329249D+00 -0.123434D+01  0.143487D+01
      3  -0.121121D+02 -0.123774D+01  0.202665D+01  0.252843D+01 -0.603655D+01
      4  -0.935594D+00  0.156396D+01 -0.905847D+00  0.149543D+01 -0.853333D+00
      5   0.364398D+01  0.146120D+01  0.128088D+01  0.572927D+00  0.719826D+01
      6   0.157346D+01 -0.772886D+00 -0.912345D+00  0.365425D+01 -0.250333D-02
               161           162           163           164           165 
      1  -0.534473D+00 -0.311779D+01  0.704182D+01  0.273475D+01  0.695463D+00
      2  -0.407391D+00 -0.263479D+01 -0.109210D+02 -0.429226D+01 -0.117002D+02
      3   0.941863D+00  0.575258D+01  0.387922D+01  0.155751D+01  0.110047D+02
      4   0.744208D-01  0.125679D+01  0.570805D+01  0.608970D+01  0.407286D+01
      5  -0.227674D+00 -0.331931D+01  0.171792D+02  0.725988D+01  0.203017D+02
      6   0.276028D+01  0.100806D+01  0.552544D+01  0.656972D+01  0.468080D+01
               166           167           168           169           170 
      1   0.424703D+01 -0.221915D+01 -0.416492D+01  0.709160D+00 -0.211021D+01
      2  -0.682370D+01 -0.218904D+01 -0.100053D+02 -0.933096D+01 -0.573351D+01
      3   0.257667D+01  0.440819D+01  0.141702D+02  0.862180D+01  0.784372D+01
      4   0.695153D+01  0.656327D+01  0.830350D+01  0.302109D+01  0.550035D+01
      5   0.120338D+02  0.108096D+02  0.157076D+02  0.162704D+02  0.796567D+01
      6   0.750608D+01  0.834482D+01  0.126135D+02  0.434570D+01  0.919436D+01
               171           172           173           174           175 
      1  -0.711946D+01  0.785548D-01 -0.122918D+01 -0.186578D+00 -0.965204D+00
      2  -0.166573D+02  0.143460D-01 -0.874973D+00 -0.214984D+01 -0.167343D+01
      3   0.237768D+02 -0.929008D-01  0.210415D+01  0.233642D+01  0.263863D+01
      4   0.593738D+01 -0.508631D+01  0.823648D+01 -0.359269D+01  0.106848D+02
      5   0.231130D+02  0.477634D+01 -0.485946D+01  0.759060D+01 -0.715137D+01
      6   0.985434D+01 -0.432242D+01  0.552471D+01 -0.272511D+01  0.804308D+01
               176           177           178           179           180 
      1  -0.152691D+02  0.117963D+02 -0.751648D+00  0.668365D+01 -0.647872D+01
      2   0.168960D+02 -0.358800D+01 -0.158599D+01 -0.142361D+01 -0.894734D+00
      3  -0.162689D+01 -0.820827D+01  0.233764D+01 -0.526004D+01  0.737346D+01
      4  -0.208554D+02  0.108308D+02 -0.183560D+01  0.547826D+01 -0.483391D+01
      5   0.123985D+02 -0.979884D+01  0.589295D+01 -0.463433D+01  0.708970D+01
      6  -0.297546D+02  0.212459D+02 -0.256041D+01  0.133384D+02 -0.103666D+02
               181           182           183           184           185 
      1   0.101131D+02  0.252656D+01 -0.910835D+01  0.570968D+01  0.281581D+01
      2  -0.789907D+01 -0.178467D+01  0.671651D+01 -0.408701D+01 -0.962302D+00
      3  -0.221406D+01 -0.741889D+00  0.239185D+01 -0.162267D+01 -0.185350D+01
      4   0.166860D+01  0.417420D+01  0.404604D+00  0.705426D+01 -0.995270D+00
      5  -0.111989D+02 -0.363000D+00  0.150322D+02 -0.182980D+01 -0.350129D+01
      6   0.649125D+00 -0.355863D+00 -0.103496D+01 -0.107326D+01 -0.723910D+00
               186           187           188           189           190 
      1  -0.207767D+00 -0.191818D+02  0.607342D+00  0.892843D+01  0.144783D+02
      2   0.120516D+01  0.142914D+02  0.865672D+00 -0.180691D+02 -0.329094D+01
      3  -0.997394D+00  0.489038D+01 -0.147301D+01  0.914072D+01 -0.111873D+02
      4  -0.375061D+01  0.171295D+01 -0.673954D+01  0.256794D+01 -0.143542D+02
      5   0.581267D+01  0.254392D+02  0.320023D+01 -0.459015D+02  0.387298D+01
      6   0.363558D+01 -0.196181D+01  0.377192D+01  0.415584D+01 -0.894415D+00
               191           192           193           194           195 
      1  -0.964384D+01  0.377987D+01 -0.205603D+02  0.824493D+01  0.293801D+00
      2   0.114317D+01 -0.129634D+01  0.110559D+01  0.155659D+02 -0.238771D+01
      3   0.850067D+01 -0.248352D+01  0.194547D+02 -0.238109D+02  0.209391D+01
      4   0.182670D+02 -0.219335D+01  0.351521D+02 -0.521737D+02  0.858751D+01
      5  -0.159459D+01  0.496893D+01 -0.231161D+01  0.726560D+01 -0.912323D+01
      6   0.610021D+00 -0.659687D+00  0.124843D+01 -0.234887D+01  0.604934D+01
               196           197           198           199           200 
      1   0.838386D+01 -0.528450D+00  0.333424D+01  0.466154D+02  0.152762D+02
      2  -0.273189D+01 -0.195811D+01 -0.111610D+01 -0.242437D+02 -0.832318D+01
      3  -0.565197D+01  0.248656D+01 -0.221814D+01 -0.223717D+02 -0.695299D+01
      4  -0.530204D+01  0.999067D+01 -0.630818D+01  0.154985D+02  0.144552D+02
      5   0.900160D+01 -0.627959D+01  0.250326D+01  0.166490D+02  0.625925D+01
      6  -0.281247D+01  0.528747D+01 -0.254078D+01  0.912032D+00  0.685204D+00
               201           202           203           204           205 
      1   0.151193D+02  0.320099D+02  0.140096D+02  0.794632D+01  0.281302D+02
      2  -0.843192D+01 -0.164989D+02 -0.396674D+01 -0.497413D+01 -0.155540D+02
      3  -0.668740D+01 -0.155110D+02 -0.100428D+02 -0.297218D+01 -0.125761D+02
      4   0.610688D+01  0.215575D+02  0.147657D+02  0.101289D+02  0.800308D+01
      5   0.141466D+02  0.103217D+02  0.923508D+01  0.125217D+02  0.196411D+02
      6   0.743261D-01  0.184183D+01  0.182571D+01  0.241498D+01  0.114215D+01
               206           207           208           209           210 
      1   0.647951D+01  0.129058D+02 -0.124395D+01  0.154805D+01 -0.178956D+01
      2  -0.434120D+01 -0.104742D+02  0.304658D+01 -0.178095D+01  0.638835D+00
      3  -0.213831D+01 -0.243161D+01 -0.180262D+01  0.232901D+00  0.115072D+01
      4   0.116894D+02  0.792218D+01  0.794504D+00  0.688536D+01 -0.707285D+00
      5   0.813948D+01  0.144512D+02 -0.125542D+01  0.278791D+00  0.274271D+01
      6   0.214774D+01  0.207201D+01 -0.194235D+01  0.665555D+00  0.632680D+00
               211           212           213           214           215 
      1  -0.449970D+00 -0.236388D+02  0.382609D+01 -0.213929D+01  0.110148D+02
      2   0.218869D+01  0.388879D+02 -0.802760D+01 -0.905932D+00 -0.190834D+02
      3  -0.173872D+01 -0.152491D+02  0.420151D+01  0.304522D+01  0.806852D+01
      4   0.639544D+01  0.136685D+02 -0.187798D+01 -0.281991D+01 -0.617509D+01
      5   0.705947D-01 -0.145596D+01  0.264842D+01  0.308671D+01  0.389754D+01
      6  -0.286557D+00 -0.704681D+01  0.734411D+01  0.210109D+01  0.118861D+02
               216           217           218           219           220 
      1  -0.552030D+01  0.284292D+01 -0.293328D+01 -0.178249D+01 -0.273455D+01
      2   0.556034D+01 -0.420456D+01  0.433715D+00 -0.249424D+01  0.186442D+01
      3  -0.400356D-01  0.136164D+01  0.249956D+01  0.427673D+01  0.870127D+00
      4   0.458017D+01  0.709966D+01  0.951225D+01  0.862649D+01  0.574241D+01
      5  -0.819732D+00  0.101164D+02  0.772166D+01  0.116013D+02  0.374254D+01
      6  -0.446758D+01  0.686303D+01  0.816487D+01  0.780746D+01  0.515821D+01
               221           222           223           224           225 
      1  -0.102457D+02 -0.640210D+01 -0.167155D+01 -0.104356D+02 -0.165490D+02
      2   0.825017D+01  0.227367D+01 -0.225528D+01 -0.193480D+00 -0.557805D+01
      3   0.199550D+01  0.412843D+01  0.392683D+01  0.106291D+02  0.221271D+02
      4   0.100710D+02  0.723115D+01  0.888521D+01  0.105442D+02  0.134060D+02
      5   0.740169D+01  0.670794D+01  0.116497D+02  0.123214D+02  0.198525D+02
      6   0.113952D+02  0.131276D+02  0.870874D+01  0.199649D+02  0.241775D+02
               226           227           228           229           230 
      1   0.175448D+02 -0.876337D+01 -0.353471D+01 -0.663762D+01 -0.366197D+01
      2  -0.372403D+01 -0.398933D+00  0.159169D+01 -0.220859D+01  0.135521D+02
      3  -0.138208D+02  0.916231D+01  0.194301D+01  0.884621D+01 -0.989011D+01
      4  -0.273228D+02  0.226332D+02  0.101045D+02  0.191764D+02 -0.267048D+02
      5  -0.102489D+02  0.805981D+01  0.913181D+01  0.550746D+01 -0.774916D+01
      6   0.601298D+01 -0.670406D+01 -0.560784D+01 -0.503123D+01  0.914937D+01
               231           232           233           234 
      1  -0.139165D+01 -0.426309D+01  0.935512D+00  0.222224D+01
      2   0.281969D+01  0.164596D+01  0.417361D+01 -0.119282D+01
      3  -0.142804D+01  0.261713D+01 -0.510912D+01 -0.102943D+01
      4  -0.944069D+01  0.116774D+02 -0.147598D+02 -0.670596D+01
      5  -0.578165D+01  0.892346D+01 -0.436079D+01 -0.669624D+01
      6   0.655322D+01 -0.627489D+01  0.412602D+01  0.565976D+01
 Leave Link  716 at Thu Jul 22 20:21:51 2021, MaxMem= 17179869184 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.128316D+03  0.423215D+01  0.613290D+00
      2   0.423215D+01  0.118357D+03  0.240675D+01
      3   0.613290D+00  0.240675D+01  0.993004D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.942896D+00  0.137959D+00  0.304318D+01
      2   0.826607D+01 -0.787368D+01  0.994764D+01
      3   0.178394D+02  0.286316D+02  0.653780D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.188403D+02 -0.496414D+02  0.756722D+01
      2   0.715945D+00  0.484934D+02 -0.124827D+02
      3   0.181244D+02  0.114799D+01  0.491545D+01
      4  -0.429142D+02 -0.482909D+02 -0.214944D+02
      5   0.211797D+02 -0.193757D+02  0.322308D+02
      6  -0.100482D+02  0.474919D+01 -0.193462D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    78 ND12= 1 LenFil=    2811:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.255297D+01 -0.591752D+00 -0.192127D+01  0.293767D+00 -0.197262D+01
      2  -0.591752D+00 -0.296300D+00 -0.130589D+01 -0.197262D+01 -0.460108D+01
      3  -0.192127D+01 -0.130589D+01 -0.408449D+01  0.211627D-01 -0.240245D+00
                 6             7             8             9            10 
      1   0.211627D-01 -0.357249D+01 -0.224949D+01 -0.402923D+01 -0.191833D+01
      2  -0.240245D+00 -0.224949D+01  0.183385D+01  0.816653D+00  0.123479D+01
      3   0.140767D+01 -0.402923D+01  0.816653D+00 -0.370039D-01 -0.189325D+00
                11            12            13            14            15 
      1   0.123479D+01 -0.189325D+00  0.325327D+00 -0.175430D+01  0.123082D+01
      2  -0.932974D+00  0.306568D+01 -0.175430D+01  0.545248D+01  0.406181D+00
      3   0.306568D+01 -0.249894D+01  0.123082D+01  0.406181D+00  0.501307D+00
                16            17            18            19            20 
      1  -0.548842D+00  0.456181D+01 -0.221435D+01 -0.712766D-01 -0.112477D+01
      2   0.456181D+01  0.617471D+00  0.129218D+01 -0.112477D+01 -0.977587D+00
      3  -0.221435D+01  0.129218D+01 -0.623942D-01  0.547707D+00  0.127405D+01
                21            22            23            24            25 
      1   0.547707D+00 -0.109463D+01  0.276142D+00  0.104280D+01  0.100947D+01
      2   0.127405D+01  0.276142D+00  0.914961D+01 -0.265616D+00  0.110904D+01
      3   0.176980D+01  0.104280D+01 -0.265616D+00  0.237220D+01  0.299883D+01
                26            27            28            29            30 
      1   0.110904D+01  0.299883D+01 -0.509792D+01 -0.279336D+01 -0.569865D+00
      2  -0.845797D+00  0.455883D+01 -0.279336D+01 -0.319569D+01 -0.101219D+01
      3   0.455883D+01  0.345243D+01 -0.569865D+00 -0.101219D+01 -0.106070D+01
                31            32            33            34            35 
      1  -0.336041D+01 -0.591204D+01 -0.177762D+01 -0.123028D+01 -0.168337D+01
      2  -0.591204D+01 -0.174725D+02 -0.845845D+00 -0.168337D+01 -0.129650D+01
      3  -0.177762D+01 -0.845845D+00 -0.300595D+01 -0.269275D+01 -0.333154D+01
                36            37            38            39            40 
      1  -0.269275D+01  0.276850D+01  0.574968D+00  0.895480D+00 -0.394415D+00
      2  -0.333154D+01  0.574968D+00  0.404592D+01  0.258237D+01  0.571554D+01
      3  -0.158096D+01  0.895480D+00  0.258237D+01  0.189602D+01  0.209189D+01
                41            42            43            44            45 
      1   0.571554D+01  0.209189D+01  0.128683D+01  0.239661D+01  0.392704D+01
      2   0.481002D+01 -0.284973D+01  0.239661D+01 -0.316143D+01  0.403688D+01
      3  -0.284973D+01  0.235125D+01  0.392704D+01  0.403688D+01  0.127545D+01
                46            47            48            49            50 
      1   0.467338D+01  0.223307D+01 -0.437229D+00  0.360227D+01  0.674244D+01
      2   0.223307D+01  0.644984D+01  0.278658D+01  0.674244D+01  0.148112D+02
      3  -0.437229D+00  0.278658D+01  0.150906D+01  0.240850D+01 -0.640815D+00
                51            52            53            54            55 
      1   0.240850D+01 -0.284686D-01  0.342537D+01  0.187866D+01 -0.143196D+01
      2  -0.640815D+00  0.342537D+01 -0.137150D+01  0.387104D+01 -0.118553D+01
      3   0.237768D+01  0.187866D+01  0.387104D+01  0.205215D+01 -0.599780D+00
                56            57            58            59            60 
      1  -0.118553D+01 -0.599780D+00 -0.128601D+01 -0.353615D+01 -0.141320D+01
      2  -0.346527D+01 -0.230777D+01 -0.353615D+01 -0.828672D+01  0.111027D+01
      3  -0.230777D+01 -0.763040D+00 -0.141320D+01  0.111027D+01 -0.260206D+01
                61            62            63            64            65 
      1  -0.731499D+00 -0.212100D+01 -0.135854D+01  0.272365D+01  0.369885D-01
      2  -0.212100D+01  0.143666D+01 -0.537048D+01  0.369885D-01  0.983760D+00
      3  -0.135854D+01 -0.537048D+01 -0.177182D+01  0.372880D+01 -0.659422D+00
                66            67            68            69            70 
      1   0.372880D+01  0.234049D+00  0.480889D+01 -0.584631D-01  0.627463D+01
      2  -0.659422D+00  0.480889D+01 -0.376759D+01  0.264365D+01 -0.789906D+00
      3   0.389267D+01 -0.584631D-01  0.264365D+01  0.299514D+00  0.454644D+01
                71            72            73            74            75 
      1  -0.789906D+00  0.454644D+01  0.179865D+01 -0.125706D+01 -0.141866D+01
      2   0.167125D+01  0.392026D-01 -0.125706D+01  0.830339D+00  0.888398D+00
      3   0.392026D-01 -0.610780D-01 -0.141866D+01  0.888398D+00  0.248468D+01
                76            77            78            79            80 
      1  -0.128010D+01  0.519032D+00  0.488573D+00 -0.180509D+01  0.910118D+00
      2   0.519032D+00 -0.159165D+01 -0.196507D+01  0.910118D+00 -0.217487D+01
      3   0.488573D+00 -0.196507D+01 -0.263698D+01  0.198971D+01 -0.270447D+01
                81            82            83            84            85 
      1   0.198971D+01  0.355436D+01  0.168237D+01 -0.175788D+01  0.157602D+01
      2  -0.270447D+01  0.168237D+01  0.181012D+01 -0.171116D+01  0.125215D+01
      3  -0.603514D+01 -0.175788D+01 -0.171116D+01  0.236716D+01 -0.124937D+01
                86            87            88            89            90 
      1   0.125215D+01 -0.124937D+01 -0.232525D+01 -0.170718D+01  0.211657D+01
      2   0.316119D+01 -0.194330D+01 -0.170718D+01 -0.216165D+01  0.200730D+01
      3  -0.194330D+01  0.167685D+01  0.211657D+01  0.200730D+01 -0.324157D+01
                91            92            93            94            95 
      1  -0.429918D+01 -0.181480D+01 -0.208949D+01 -0.246222D+01 -0.276116D+01
      2  -0.181480D+01 -0.148066D+01 -0.113140D+01 -0.276116D+01 -0.295154D+01
      3  -0.208949D+01 -0.113140D+01 -0.180904D+01 -0.111220D+01 -0.105150D+01
                96            97            98            99           100 
      1  -0.111220D+01 -0.504464D+01 -0.267131D+01 -0.314773D+01 -0.562186D+01
      2  -0.105150D+01 -0.267131D+01 -0.223247D+01 -0.256610D+01  0.183772D+01
      3  -0.163282D+01 -0.314773D+01 -0.256610D+01 -0.426428D+01  0.147253D+01
               101           102           103           104           105 
      1   0.183772D+01  0.147253D+01  0.469001D+01 -0.193411D+01 -0.138075D+01
      2  -0.130698D+01 -0.660192D+00 -0.193411D+01  0.189900D+01  0.915906D+00
      3  -0.660192D+00 -0.132058D+01 -0.138075D+01  0.915906D+00  0.104407D+01
               106           107           108           109           110 
      1   0.237452D+01 -0.828596D+00 -0.187853D+01 -0.370096D+00 -0.762784D+00
      2  -0.828596D+00  0.927533D+00  0.388729D+00 -0.762784D+00  0.138890D-01
      3  -0.187853D+01  0.388729D+00  0.133845D+01  0.422769D+00 -0.262054D+00
               111           112           113           114           115 
      1   0.422769D+00 -0.293809D+01 -0.292099D+01  0.772300D+00  0.183264D+01
      2  -0.262054D+00 -0.292099D+01 -0.662843D+01  0.299513D+01  0.106458D+01
      3  -0.208548D+00  0.772300D+00  0.299513D+01 -0.246132D+01 -0.168023D+01
               116           117           118           119           120 
      1   0.106458D+01 -0.168023D+01  0.170590D+01  0.129171D+01  0.120606D+01
      2   0.366636D+01 -0.312050D+01  0.129171D+01  0.187171D+01  0.120625D+01
      3  -0.312050D+01  0.285279D+01  0.120606D+01  0.120625D+01  0.110750D+01
               121           122           123           124           125 
      1   0.131068D+01  0.170159D+01  0.663582D+00  0.256773D+01  0.148013D+01
      2   0.170159D+01  0.565378D+01  0.209095D+01  0.148013D+01  0.456045D+01
      3   0.663582D+00  0.209095D+01  0.191321D+01  0.130421D+01  0.403398D+01
               126           127           128           129           130 
      1   0.130421D+01 -0.390906D+00  0.110599D+01 -0.621675D+00  0.178509D+01
      2   0.403398D+01  0.110599D+01 -0.923392D+00  0.639894D+00  0.604976D+00
      3   0.425713D+01 -0.621675D+00  0.639894D+00 -0.121725D+00  0.187841D+00
               131           132           133           134           135 
      1   0.604976D+00  0.187841D+00 -0.141578D+01  0.262824D+00  0.242848D+00
      2   0.999947D+01 -0.322486D+01  0.262824D+00 -0.502847D+01  0.358212D+01
      3  -0.322486D+01  0.207886D+01  0.242848D+00  0.358212D+01 -0.228296D+01
               136           137           138           139           140 
      1   0.529477D+01 -0.191315D+01 -0.212720D+01 -0.210865D+01 -0.288956D+01
      2  -0.191315D+01 -0.177954D+01 -0.675437D+00 -0.288956D+01  0.446598D+01
      3  -0.212720D+01 -0.675437D+00 -0.281494D+01 -0.749510D+00 -0.440635D+01
               141           142           143           144           145 
      1  -0.749510D+00 -0.309256D+01 -0.307109D+00 -0.312083D+01 -0.541626D-01
      2  -0.440635D+01 -0.307109D+00 -0.314311D+01 -0.112733D+01 -0.155783D+01
      3  -0.151931D+01 -0.312083D+01 -0.112733D+01  0.223305D+00 -0.260458D+01
               146           147           148           149           150 
      1  -0.155783D+01 -0.260458D+01 -0.194800D+01 -0.502221D+01 -0.624916D+00
      2  -0.296720D+01 -0.423578D+00 -0.502221D+01  0.481940D+01 -0.234199D+01
      3  -0.423578D+00 -0.242727D+01 -0.624916D+00 -0.234199D+01 -0.170452D+01
               151           152           153           154           155 
      1  -0.294466D+01 -0.617630D+00 -0.344092D+01 -0.642967D+01  0.718940D+00
      2  -0.617630D+00 -0.251016D+01 -0.156188D+01  0.718940D+00 -0.649330D+00
      3  -0.344092D+01 -0.156188D+01  0.489823D+01  0.100065D+01  0.209444D+00
               156           157           158           159           160 
      1   0.100065D+01  0.712892D+00 -0.102063D-02 -0.171310D+00  0.156659D+01
      2   0.209444D+00 -0.102063D-02 -0.389971D+00  0.853994D+00 -0.258161D+00
      3  -0.238371D+01 -0.171310D+00  0.853994D+00  0.424783D+00 -0.101492D+01
               161           162           163           164           165 
      1  -0.258161D+00 -0.101492D+01  0.237405D+01  0.120476D+01  0.242135D+01
      2   0.646252D+00  0.116948D+00  0.120476D+01  0.122644D+01  0.908572D+00
      3   0.116948D+00  0.854995D+00  0.242135D+01  0.908572D+00  0.334674D+01
               166           167           168           169           170 
      1   0.199382D+01  0.142714D+01  0.154875D+01  0.188947D+01  0.769982D+00
      2   0.142714D+01  0.149378D+01  0.219959D+01  0.769982D+00  0.147143D+01
      3   0.154875D+01  0.219959D+01  0.350569D+01  0.242954D+01  0.168196D+01
               171           172           173           174           175 
      1   0.242954D+01  0.575878D+00 -0.100316D+01  0.101297D+01 -0.149160D+01
      2   0.168196D+01 -0.100316D+01  0.120639D+01 -0.453645D+00  0.179553D+01
      3   0.490618D+01  0.101297D+01 -0.453645D+00  0.113008D+01 -0.818655D+00
               176           177           178           179           180 
      1   0.179553D+01 -0.818655D+00  0.589639D+00 -0.318888D+00  0.857566D+00
      2  -0.653396D+01  0.359960D+01 -0.318888D+00  0.182281D+01 -0.160675D+01
      3   0.359960D+01 -0.326460D+01  0.857566D+00 -0.160675D+01  0.199157D+01
               181           182           183           184           185 
      1   0.129232D+01  0.340483D+00 -0.136617D+01  0.795310D+00  0.873337D+00
      2   0.340483D+00  0.479971D+00  0.872783D-02  0.873337D+00 -0.154461D+00
      3  -0.136617D+01  0.872783D-02  0.151156D+01 -0.199881D+00 -0.549664D+00
               186           187           188           189           190 
      1  -0.199881D+00 -0.327185D+01  0.108889D+00  0.302001D+01  0.221583D+01
      2  -0.549664D+00  0.108889D+00 -0.870478D+00  0.484864D+00 -0.164205D+01
      3   0.848550D+00  0.302001D+01  0.484864D+00 -0.666212D+01  0.604861D+00
               191           192           193           194           195 
      1  -0.164205D+01  0.604861D+00 -0.421891D+01  0.419076D+01 -0.405143D+00
      2   0.171654D+01 -0.222914D+00  0.419076D+01 -0.721254D+01  0.121053D+01
      3  -0.222914D+00  0.436679D+00 -0.405143D+00  0.121053D+01 -0.121079D+01
               196           197           198           199           200 
      1   0.148878D+01 -0.632455D+00  0.112296D+01  0.588891D+01  0.184919D+01
      2  -0.632455D+00  0.135164D+01 -0.925826D+00  0.184919D+01  0.154364D+01
      3   0.112296D+01 -0.925826D+00  0.371260D+00  0.202854D+01  0.735685D+00
               201           202           203           204           205 
      1   0.202854D+01  0.451075D+01  0.256079D+01  0.127286D+01  0.415511D+01
      2   0.735685D+00  0.256079D+01  0.175875D+01  0.129986D+01  0.971862D+00
      3   0.151967D+01  0.127286D+01  0.129986D+01  0.159846D+01  0.234216D+01
               206           207           208           209           210 
      1   0.971862D+00  0.234216D+01  0.144533D+00 -0.898996D+00  0.413451D+00
      2   0.144214D+01  0.106477D+01 -0.898996D+00  0.496057D-02 -0.332172D+00
      3   0.106477D+01  0.177422D+01  0.413451D+00 -0.332172D+00 -0.166389D+00
               211           212           213           214           215 
      1  -0.163691D+01 -0.504612D+00  0.596003D-01  0.154554D+01  0.143896D+00
      2  -0.504612D+00 -0.890417D+01  0.147330D+01  0.143896D+00  0.405787D+01
      3   0.596003D-01  0.147330D+01 -0.138157D+01 -0.538312D+00 -0.234094D+01
               216           217           218           219           220 
      1  -0.538312D+00 -0.190668D+01 -0.917409D+00 -0.174885D+01 -0.608546D+00
      2  -0.234094D+01 -0.917409D+00 -0.168986D+01 -0.165640D+01 -0.987254D+00
      3   0.972118D+00 -0.174885D+01 -0.165640D+01 -0.198733D+01 -0.799470D+00
               221           222           223           224           225 
      1  -0.987254D+00 -0.799470D+00 -0.262011D+01 -0.132623D+01 -0.211519D+01
      2  -0.368948D+01 -0.215352D+01 -0.132623D+01 -0.299662D+01 -0.401284D+01
      3  -0.215352D+01 -0.215338D+01 -0.211519D+01 -0.401284D+01 -0.625526D+01
               226           227           228           229           230 
      1  -0.486572D+01  0.335167D+01  0.169681D+01  0.299851D+01 -0.227229D+01
      2   0.335167D+01 -0.251874D+01 -0.149143D+01 -0.227229D+01  0.470945D+01
      3   0.169681D+01 -0.149143D+01 -0.132493D+01 -0.102819D+01  0.167954D+01
               231           232           233           234 
      1  -0.102819D+01  0.205057D+01 -0.169379D+01 -0.154504D+01
      2   0.167954D+01 -0.169379D+01  0.228733D+01  0.693185D+00
      3   0.117323D+01 -0.154504D+01  0.693185D+00  0.103430D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.852045D+00  0.699601D+00 -0.101832D+01  0.982645D+00  0.979246D+01
      2  -0.336689D+01 -0.204990D+00 -0.333983D+01 -0.109962D+00 -0.426377D+01
      3   0.360849D+00 -0.331465D+01  0.190816D+01  0.757163D+01  0.915859D+01
                 6             7             8             9            10 
      1  -0.127782D+01  0.158706D+01  0.209559D+01  0.545268D+00 -0.119574D+01
      2   0.864003D-01 -0.131096D+02 -0.330345D+01 -0.590155D+01 -0.207667D+01
      3   0.334087D+01  0.593419D+01 -0.536930D+00  0.410047D+01 -0.142601D+01
                11            12            13            14            15 
      1  -0.354497D+01 -0.643924D+00 -0.206313D+01 -0.921197D+01 -0.425508D+01
      2   0.433112D+01 -0.113202D+01  0.230621D+01  0.570607D+00  0.171880D+01
      3  -0.532296D+01 -0.364934D+01  0.733869D+01 -0.126122D+02  0.241488D+01
                16            17            18            19            20 
      1  -0.436313D+01  0.202859D+01 -0.220880D+01  0.165120D+01  0.359556D+01
      2  -0.646826D+01  0.669269D+01 -0.751172D+00 -0.240326D+01 -0.921350D+00
      3  -0.724740D+01  0.313715D+01 -0.529935D+01 -0.986869D+00 -0.420749D+01
                21            22            23            24            25 
      1   0.221554D+01  0.218500D+01 -0.952886D+01  0.425907D+01  0.417832D+01
      2   0.417733D+00 -0.189450D+01 -0.626653D+00 -0.341883D+01 -0.598297D+01
      3   0.383242D+00  0.440643D+01  0.133711D+02 -0.103248D+01  0.183713D+01
                26            27            28            29            30 
      1   0.165926D+02  0.360953D+01 -0.370596D-02 -0.411566D+00  0.275385D+00
      2  -0.431264D+01 -0.186314D+01 -0.204841D+00  0.596195D+01  0.314662D+01
      3  -0.301455D+01  0.291060D+01 -0.118379D+02 -0.189216D+02 -0.505050D+01
                31            32            33            34            35 
      1  -0.145182D+00 -0.363656D+01 -0.663057D-01  0.142502D+01  0.110766D+02
      2   0.673543D+01  0.372014D+01  0.814541D+01 -0.242075D+01  0.752489D+01
      3  -0.141516D+02 -0.427502D+02 -0.282618D+01 -0.720202D+01 -0.360677D+01
                36            37            38            39            40 
      1   0.224969D+01  0.141330D+01  0.431364D+01  0.362146D+01  0.350806D+01
      2   0.571276D+01 -0.452800D+01 -0.108995D+02 -0.480399D+01 -0.753270D+01
      3  -0.850823D+01 -0.261774D+01  0.116170D+02  0.879542D+01  0.245343D+02
                41            42            43            44            45 
      1  -0.276149D+01  0.132845D+01  0.789179D+01  0.842658D+01  0.246156D+01
      2   0.966701D+01 -0.912165D+01 -0.191130D+02 -0.186490D+02 -0.576140D+01
      3   0.138482D+02 -0.128124D+02  0.662941D+01 -0.152607D+02  0.114468D+02
                46            47            48            49            50 
      1   0.324769D-01 -0.230639D+01 -0.133398D+01 -0.131329D+01  0.504291D+01
      2  -0.177485D+01 -0.486066D+01 -0.299541D+01 -0.343307D+01 -0.106665D+01
      3   0.533910D+01  0.781979D+01  0.447553D+01  0.194803D+02  0.464199D+02
                51            52            53            54            55 
      1  -0.344118D+01  0.593900D+00  0.128999D+01 -0.706510D+00  0.157212D+01
      2  -0.678277D+01 -0.127554D+02 -0.118767D+02 -0.439518D+01 -0.167630D+01
      3   0.280196D+01  0.657943D+01  0.250932D+01  0.105512D+02 -0.412832D+01
                56            57            58            59            60 
      1   0.602021D+01  0.219791D+01  0.327947D+01 -0.476149D+01  0.592423D+01
      2   0.592905D+00  0.172101D+01  0.277225D+00  0.931855D+00  0.670890D-01
      3  -0.893838D+01 -0.295336D+01 -0.211837D+01 -0.128244D+02 -0.253892D+01
                61            62            63            64            65 
      1   0.583450D+01  0.206144D+02  0.614522D+01  0.203537D+01  0.267939D+01
      2  -0.261030D+01 -0.186323D+01  0.925313D+00  0.134065D+02 -0.316855D+01
      3  -0.493238D+01 -0.500663D+01 -0.550380D+01  0.896886D-01 -0.768739D+01
                66            67            68            69            70 
      1   0.169881D+01 -0.405657D+01  0.112582D+01 -0.551468D+01  0.301505D+00
      2   0.138479D+02 -0.180684D+00  0.643526D+01  0.117133D+01  0.344119D+01
      3   0.691787D+00 -0.584816D+01  0.716413D+01 -0.549623D+01 -0.419836D+00
                71            72            73            74            75 
      1   0.545384D+01 -0.489729D+00  0.474287D+00 -0.766634D+00  0.118222D+01
      2   0.881020D+00 -0.155619D+01  0.268097D+01 -0.104637D+01  0.117125D+01
      3  -0.474770D+01 -0.178803D+01 -0.619915D+00 -0.107872D+01  0.435361D+00
                76            77            78            79            80 
      1  -0.106772D+00  0.118979D+01 -0.560369D+00  0.679762D+00  0.330247D+01
      2  -0.195337D+01 -0.984783D+00 -0.181860D+01 -0.377277D+01 -0.598693D+00
      3   0.278367D+01  0.517863D+00  0.129147D+01  0.198593D+01  0.214065D+01
                81            82            83            84            85 
      1  -0.156038D+01  0.108998D+01 -0.352078D+00 -0.185019D+01  0.350768D+00
      2  -0.163857D+01  0.225142D+01 -0.619662D+00  0.264750D+01  0.800666D-01
      3   0.473467D+00  0.359421D+01 -0.184179D+01 -0.233689D+00  0.290318D+01
                86            87            88            89            90 
      1  -0.145567D+01 -0.155038D+01 -0.140408D+01  0.148087D+01  0.286267D+01
      2  -0.958000D+00  0.111423D+01 -0.205460D+01  0.563937D-01 -0.210850D+01
      3  -0.250215D+01  0.829072D+00 -0.174166D+01  0.165601D+01  0.985448D+00
                91            92            93            94            95 
      1  -0.311430D+01 -0.136813D+01 -0.260574D+01 -0.195853D+01 -0.996079D+00
      2   0.734409D+01  0.432750D+01  0.812412D+01  0.413893D+01  0.404009D+01
      3  -0.247312D+01 -0.569304D+01 -0.247232D+01 -0.605530D+01 -0.858660D+01
                96            97            98            99           100 
      1  -0.301143D+01 -0.449254D+01 -0.222377D+01 -0.533127D+01  0.209693D+01
      2   0.666935D+01  0.968726D+01  0.960956D+01  0.164479D+02 -0.380373D+01
      3  -0.255023D+01 -0.356408D+01 -0.618486D+01 -0.638463D+01  0.108291D+02
               101           102           103           104           105 
      1  -0.167472D+01 -0.943222D+00 -0.157679D+01  0.225807D+01 -0.258917D+00
      2   0.206048D+01  0.615768D+01  0.329401D+01 -0.302062D+01 -0.448535D+01
      3  -0.818827D+01 -0.393201D+01 -0.785219D+01  0.998229D+01  0.437488D+01
               106           107           108           109           110 
      1  -0.185525D+01  0.158599D+01  0.723653D+00 -0.192036D+00 -0.795314D+00
      2   0.436506D+01 -0.127664D+01 -0.465010D+01 -0.147824D+01  0.168177D+01
      3  -0.461463D+01  0.514637D+01  0.260046D+01 -0.285841D+01 -0.712276D+00
               111           112           113           114           115 
      1  -0.282853D+00  0.857448D+00  0.780974D+00 -0.384773D+01 -0.228391D+01
      2   0.110642D+01 -0.119684D+01 -0.101239D+02  0.910342D+01  0.337776D+01
      3  -0.115977D+01 -0.559897D+01 -0.215607D+02  0.101056D+02  0.139152D+01
               116           117           118           119           120 
      1  -0.139312D+01  0.295875D+01 -0.405811D+01 -0.305390D+01 -0.363737D+01
      2   0.105625D+02 -0.977261D+01 -0.125900D+01 -0.912432D+00  0.758445D+00
      3   0.133351D+02 -0.965177D+01  0.565103D+01  0.188712D+01  0.346993D+01
               121           122           123           124           125 
      1  -0.114446D+01 -0.473747D+01 -0.612755D+01 -0.355464D+01 -0.863180D+01
      2  -0.534835D+00 -0.981778D+00  0.930008D-01 -0.204414D+01 -0.585340D+00
      3   0.575005D+01  0.622663D+01  0.207060D+01  0.938816D+01  0.470065D+01
               126           127           128           129           130 
      1  -0.123005D+02  0.143901D+01 -0.187851D+01  0.165163D+00  0.279730D+00
      2  -0.886816D+00  0.614371D+00  0.722858D+00  0.956927D+00  0.223671D+00
      3   0.413341D+01 -0.103354D+01  0.951910D+00 -0.119484D+01  0.765877D+01
               131           132           133           134           135 
      1   0.643429D+01 -0.685493D+01 -0.215878D+01 -0.682750D+01  0.585609D+01
      2  -0.762305D+00 -0.139177D+00 -0.174286D+01  0.559694D-01  0.551269D-01
      3   0.503402D+01 -0.256349D+00 -0.434589D+01 -0.389686D+00  0.215793D+01
               136           137           138           139           140 
      1  -0.666127D+01 -0.426017D+01 -0.291479D+01 -0.686840D+01  0.762340D+01
      2  -0.173005D+02  0.301979D+01  0.447531D+01  0.351412D+01 -0.202608D+01
      3   0.116613D+00  0.148343D+01  0.254071D+01  0.845779D+01 -0.590555D+01
               141           142           143           144           145 
      1  -0.137693D+02 -0.236055D+01 -0.661015D+01 -0.313485D+01 -0.138598D+01
      2  -0.669585D+00  0.818253D+00 -0.102647D+01  0.540774D+01 -0.931664D+01
      3   0.743925D+01  0.233959D+01  0.525836D+01  0.337438D+01  0.656974D+01
               146           147           148           149           150 
      1  -0.266802D+00 -0.171607D+01  0.323500D+00 -0.203623D+01 -0.211760D+01
      2  -0.179194D+01 -0.899226D+01 -0.237212D+01 -0.952551D+01 -0.606254D+01
      3   0.115303D+02  0.299190D+01  0.233944D+02 -0.153685D+02  0.893517D+01
               151           152           153           154           155 
      1  -0.256039D+01  0.146519D+01  0.308845D+01  0.323519D+01 -0.248037D+01
      2  -0.175720D+02 -0.495491D+01  0.169483D+02  0.204364D+02 -0.227095D+01
      3   0.349257D+01  0.874667D+01  0.729485D+01  0.297450D+01 -0.130175D+01
               156           157           158           159           160 
      1  -0.461597D+00 -0.124823D+01  0.107944D-01  0.700393D+00 -0.158896D+01
      2  -0.161437D+01 -0.258021D+01  0.702408D+00  0.618682D+00 -0.589868D+01
      3  -0.297761D+00  0.177115D+01  0.266252D+00 -0.565037D+00 -0.220787D+00
               161           162           163           164           165 
      1   0.175602D+01  0.182814D+00  0.366735D+01  0.452417D+01  0.276044D+01
      2   0.110792D+01  0.229084D+01 -0.121416D+01 -0.103498D+01  0.251796D+01
      3   0.304872D-01  0.336673D+00 -0.195590D+01 -0.369100D+01 -0.216227D+01
               166           167           168           169           170 
      1   0.361882D+01  0.533913D+01  0.463230D+01  0.299050D+01  0.591698D+01
      2  -0.297624D+01  0.829582D+00  0.299745D+01 -0.279233D+01  0.687413D+00
      3  -0.123137D+01 -0.343215D+01 -0.374846D+01 -0.135079D+01 -0.328622D+01
               171           172           173           174           175 
      1   0.555441D+01 -0.865814D+00  0.252603D+01  0.606174D+00  0.314936D+01
      2   0.309737D+01  0.760772D+00  0.546376D+00  0.101666D+01  0.297987D+01
      3  -0.344527D+01  0.814031D+00 -0.215190D+01  0.344615D+00  0.128549D+01
               176           177           178           179           180 
      1  -0.126117D+02  0.242301D+01 -0.417917D+00  0.442677D+01 -0.185652D+01
      2   0.269995D+01 -0.415287D+01 -0.141058D+01 -0.141026D+01  0.161765D+01
      3   0.931718D+01 -0.496093D+01 -0.530443D+00 -0.267691D+01  0.197479D+01
               181           182           183           184           185 
      1  -0.858934D+00 -0.534173D+00  0.792958D+00 -0.138096D+00 -0.455667D+00
      2  -0.437381D+01  0.139409D+00  0.608804D+01  0.947474D-01 -0.125248D+01
      3  -0.164276D+01 -0.233150D+01  0.785461D+00 -0.202198D+01 -0.150445D+00
               186           187           188           189           190 
      1  -0.239656D+00  0.128928D+01  0.306221D+01 -0.348909D+01  0.445904D+00
      2   0.310153D+01  0.568830D+01  0.206037D+01 -0.231374D+02  0.220438D+01
      3   0.186371D+01  0.936671D+00  0.407541D+01 -0.314248D+01  0.463522D+01
               191           192           193           194           195 
      1  -0.239343D+00  0.853115D+00 -0.257001D+00  0.124857D+01 -0.361369D+01
      2  -0.108577D+01  0.293606D+01 -0.154595D+01  0.484229D+01 -0.539937D+01
      3  -0.685786D+01  0.552891D+00 -0.925388D+01  0.242655D+02 -0.429585D+01
               196           197           198           199           200 
      1   0.650928D+00  0.137148D+00  0.686178D+00  0.118457D+01  0.796403D+00
      2   0.254180D+01 -0.277375D+01  0.139561D+01  0.734310D+01  0.298677D+01
      3   0.595358D+00 -0.479832D+01  0.232005D+01 -0.942063D+01 -0.842422D+01
               201           202           203           204           205 
      1   0.142662D+00  0.757687D+00  0.103262D+01 -0.782263D+00  0.101628D+01
      2   0.790104D+01  0.432098D+01  0.491102D+01  0.705470D+01  0.649121D+01
      3  -0.387243D+01 -0.915588D+01 -0.836678D+01 -0.535876D+01 -0.477988D+01
               206           207           208           209           210 
      1   0.160460D+01  0.118440D+00  0.225946D+01 -0.893365D+00  0.275038D+00
      2   0.395490D+01  0.703586D+01 -0.742630D+00  0.458355D+00  0.143858D+01
      3  -0.687934D+01 -0.492041D+01 -0.181569D+01  0.234693D+00 -0.147524D+01
               211           212           213           214           215 
      1   0.708034D+00  0.992491D+01 -0.616153D+01 -0.101813D+01 -0.697775D+01
      2  -0.122278D+01 -0.246560D+01  0.155687D+01  0.622095D+00  0.275947D+01
      3   0.548785D+01 -0.105396D+02  0.117413D+01 -0.464867D+01  0.523659D+01
               216           217           218           219           220 
      1   0.491595D+01 -0.215062D+01 -0.154321D+01 -0.262903D+01 -0.303308D+00
      2  -0.199447D+01 -0.512445D+00  0.886452D+00  0.167604D+01 -0.571559D+00
      3  -0.211683D+01  0.277838D+01 -0.270039D+01  0.906809D-01  0.191768D+01
               221           222           223           224           225 
      1   0.485444D+00 -0.292685D+01 -0.142362D+01 -0.266321D+01 -0.755917D+01
      2   0.146508D+01  0.171580D+01 -0.340751D+01  0.314002D+01  0.491502D+01
      3  -0.394743D+01 -0.106602D+01  0.360074D+01 -0.201375D+01 -0.204418D+01
               226           227           228           229           230 
      1  -0.125860D+01  0.121462D+01  0.325022D+01  0.870809D+00 -0.129933D+01
      2  -0.701555D+00  0.230483D+01  0.442546D+01  0.139545D+00 -0.275721D+01
      3  -0.304949D+01 -0.134010D+01 -0.215046D+00  0.270952D+01  0.509061D+01
               231           232           233           234 
      1  -0.254309D+01  0.315691D+01  0.219184D+01 -0.211894D+01
      2  -0.316331D+01  0.195963D+01  0.142261D+01 -0.174055D+01
      3   0.117449D+01  0.887742D+00  0.242955D+01 -0.185555D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.111502D+02 -0.506764D+01 -0.968509D+01 -0.405831D+01 -0.337590D+01
      2   0.755443D+01  0.157103D+01  0.883547D+00  0.354975D-01  0.772775D+01
      3   0.359578D+01  0.349661D+01  0.880154D+01  0.402282D+01 -0.435185D+01
      4   0.171620D+01 -0.122924D+00 -0.194060D+01 -0.261260D+01 -0.378647D+01
      5   0.281597D-01 -0.432815D+01 -0.843377D+01  0.990130D+00  0.536190D-01
      6  -0.168314D+01  0.103134D+01  0.524088D+01  0.288662D+01  0.401125D+01
                 6             7             8             9            10 
      1   0.605756D+01 -0.178749D+02 -0.639806D+00 -0.293888D+01 -0.597286D+01
      2  -0.152045D+01  0.558127D+01  0.255544D+01  0.555703D+01  0.578740D+01
      3  -0.453711D+01  0.122936D+02 -0.191563D+01 -0.261815D+01  0.185456D+00
      4  -0.207888D+00 -0.441162D+01  0.665245D+01  0.762919D+01 -0.350752D+00
      5   0.535601D+01 -0.735756D+01  0.615871D+01  0.802712D+01  0.372154D+01
      6  -0.342164D+01  0.795138D+01 -0.341579D+01 -0.602209D+01  0.456296D+01
                11            12            13            14            15 
      1   0.728951D+01 -0.489215D+01  0.633985D+01 -0.974186D+01  0.396188D+00
      2  -0.576767D+00  0.349635D+01 -0.171334D+01  0.121591D+02  0.121052D+01
      3  -0.671274D+01  0.139579D+01 -0.462651D+01 -0.241721D+01 -0.160671D+01
      4  -0.480801D+01  0.961294D+01 -0.867357D+01  0.762789D+01  0.602585D+01
      5   0.791884D+01 -0.814624D+01  0.253788D+01  0.281951D+01 -0.338927D+01
      6   0.245382D+01 -0.582481D+01  0.604075D+01  0.947171D+00 -0.823704D+00
                16            17            18            19            20 
      1  -0.627269D+01  0.116323D+02 -0.672008D+01  0.107831D+00  0.828372D+01
      2   0.456446D+01 -0.664656D+01  0.666803D+01  0.225397D+01 -0.197907D+01
      3   0.170823D+01 -0.498576D+01  0.520537D-01 -0.236181D+01 -0.630465D+01
      4   0.154049D+02  0.584530D+01 -0.200580D+01  0.333650D+01  0.162777D+01
      5  -0.812086D+01 -0.299975D+01  0.419495D+01 -0.283368D+01 -0.280851D+01
      6  -0.627934D+01 -0.854313D+00  0.333844D+01 -0.630438D+00 -0.509638D+01
                21            22            23            24            25 
      1   0.605776D+01  0.123942D+02  0.191319D+02 -0.371617D+01  0.651539D+01
      2  -0.127365D+01 -0.692241D+01 -0.232061D+02  0.100254D+02 -0.343562D+00
      3  -0.478411D+01 -0.547174D+01  0.407416D+01 -0.630921D+01 -0.617183D+01
      4  -0.501916D+01 -0.215395D+00 -0.167322D+02 -0.508999D+01 -0.572280D+01
      5  -0.670190D+01 -0.371414D+01 -0.463852D+01 -0.875916D+01 -0.874540D+01
      6  -0.696247D+01 -0.363351D+01  0.196184D+01 -0.910065D+01 -0.963966D+01
                26            27            28            29            30 
      1  -0.393727D+01  0.780919D+01  0.184759D+02  0.131293D+02  0.224654D+01
      2   0.192861D+02 -0.127389D+01 -0.135864D+02 -0.734974D+01 -0.293557D+01
      3  -0.153488D+02 -0.653530D+01 -0.488946D+01 -0.577960D+01  0.689032D+00
      4  -0.675316D+01 -0.153354D+02  0.459648D+01  0.193590D+02  0.616723D+01
      5  -0.141219D+02 -0.131618D+02  0.446388D+01  0.462248D+01  0.568735D+01
      6  -0.194478D+02 -0.146292D+02  0.749862D+00 -0.584853D+00 -0.241080D+01
                31            32            33            34            35 
      1   0.128069D+02  0.301772D+02  0.803708D+01  0.774989D+01  0.789067D+01
      2  -0.899728D+01 -0.227004D+02 -0.238514D+01 -0.723041D+01 -0.538946D+01
      3  -0.380960D+01 -0.747675D+01 -0.565195D+01 -0.519479D+00 -0.250120D+01
      4   0.220369D+02  0.518913D+02  0.188195D+01  0.598034D+01  0.295825D+01
      5   0.517200D+01  0.797827D-01  0.916011D+01  0.155798D+02  0.110649D+02
      6  -0.105482D+01  0.315382D+01  0.172304D+01 -0.884582D-01  0.828808D+01
                36            37            38            39            40 
      1   0.793554D+01 -0.165066D+02  0.334765D+01 -0.322150D+01  0.116173D+02
      2  -0.136480D+02  0.131006D+02 -0.317181D+01  0.268325D+00 -0.797507D+01
      3   0.571245D+01  0.340594D+01 -0.175846D+00  0.295318D+01 -0.364219D+01
      4   0.834066D+01  0.582414D+01 -0.213570D+02 -0.185564D+02 -0.329567D+02
      5   0.898670D+01 -0.599789D+01 -0.198013D+02 -0.150883D+02 -0.179683D+02
      6  -0.191585D+01 -0.741399D+01 -0.416554D+01 -0.352043D+01  0.197927D+01
                41            42            43            44            45 
      1  -0.229354D+02 -0.225949D+02 -0.928787D+01 -0.273790D+02 -0.177715D+02
      2   0.110999D+02  0.152578D+02  0.437112D+01  0.190343D+02  0.752609D+01
      3   0.118355D+02  0.733712D+01  0.491676D+01  0.834473D+01  0.102454D+02
      4  -0.246114D+02  0.148690D+02 -0.205868D+02  0.141826D+02 -0.248730D+02
      5   0.187733D+02 -0.169814D+02 -0.313469D+02 -0.289788D+02 -0.104683D+02
      6   0.105697D+02 -0.122800D+02 -0.100374D+02 -0.180714D+02 -0.874911D+00
                46            47            48            49            50 
      1  -0.193795D+02 -0.131285D+02 -0.225533D+01 -0.245286D+02 -0.416298D+02
      2   0.117485D+02  0.135532D+02  0.285377D+01  0.219489D+02  0.392260D+02
      3   0.763096D+01 -0.424662D+00 -0.598435D+00  0.257971D+01  0.240381D+01
      4   0.544395D+01 -0.165298D+02 -0.124514D+02 -0.237038D+02 -0.363892D+02
      5   0.822654D+01 -0.962265D+01 -0.390054D+01 -0.783504D+01  0.629057D+01
      6  -0.610123D+01  0.800307D+01  0.309881D+01  0.728493D+01 -0.965838D+01
                51            52            53            54            55 
      1  -0.416393D+01 -0.362740D+01 -0.857871D+01 -0.162986D+02  0.452070D+01
      2   0.443878D+00  0.394796D+01 -0.428561D+01  0.351596D+01 -0.320167D+01
      3   0.372006D+01 -0.320557D+00  0.128643D+02  0.127826D+02 -0.131903D+01
      4   0.850723D+01 -0.181646D+02  0.139910D+02 -0.105314D+02  0.994196D+00
      5  -0.741044D+01 -0.225568D+01 -0.101182D+02 -0.180340D+01 -0.319065D+01
      6   0.298289D+01  0.497361D+01  0.158141D+02  0.957338D+00 -0.183161D+01
                56            57            58            59            60 
      1   0.942892D+01  0.798403D+01  0.102766D+02  0.389899D+02 -0.444745D+01
      2  -0.108592D+02 -0.986299D+01 -0.114901D+02 -0.412921D+02  0.869101D+01
      3   0.143029D+01  0.187896D+01  0.121354D+01  0.230224D+01 -0.424356D+01
      4   0.310264D+01  0.262140D+00  0.642943D+01  0.332243D+01 -0.102502D+02
      5  -0.249325D+00 -0.265056D+01  0.368136D+00 -0.651694D+01  0.967809D+00
      6  -0.104951D+02 -0.307609D+01 -0.596381D+01  0.120565D+02 -0.169368D+02
                61            62            63            64            65 
      1   0.860142D+01 -0.675414D+01  0.219677D+02 -0.663391D+00  0.311121D+01
      2  -0.811656D+01  0.137981D+02 -0.239880D+02 -0.474649D+01 -0.292054D+01
      3  -0.484856D+00 -0.704391D+01  0.202035D+01  0.540988D+01 -0.190675D+00
      4  -0.125669D+01 -0.138129D+02 -0.217481D+01  0.238548D+01  0.365327D+01
      5  -0.144485D+01 -0.239341D+01 -0.372398D+01  0.110769D+02 -0.100182D+01
      6  -0.867438D+01 -0.345819D+02 -0.694279D+01 -0.204819D+01  0.355885D+01
                66            67            68            69            70 
      1   0.114277D+02  0.507269D+01  0.134360D+02  0.155374D+00  0.202171D+02
      2  -0.870387D+01 -0.297973D+01 -0.907589D+01 -0.141386D+01 -0.137296D+02
      3  -0.272387D+01 -0.209296D+01 -0.436012D+01  0.125849D+01 -0.648746D+01
      4  -0.352456D+01  0.157598D+02 -0.131299D+02  0.711207D+01 -0.526410D+01
      5   0.128021D+02 -0.396122D+00  0.795929D+01  0.178447D+01  0.172429D+02
      6  -0.108310D+01 -0.194790D+00 -0.442567D+01  0.239395D+01 -0.287398D+01
                71            72            73            74            75 
      1  -0.251073D+01  0.144459D+02  0.162450D+01  0.596122D+00  0.334930D+01
      2   0.569851D-01 -0.105021D+02 -0.430630D+01  0.107891D+01  0.373371D+01
      3   0.245374D+01 -0.394381D+01  0.268180D+01 -0.167503D+01 -0.708301D+01
      4   0.458894D+01 -0.153843D+01 -0.639658D+01  0.627301D+01  0.489502D+01
      5   0.457619D+00 -0.196445D+01 -0.802936D+01  0.505931D+01  0.122122D+02
      6   0.359551D+01  0.807174D+00  0.506476D+01 -0.415516D+01 -0.591904D+01
                76            77            78            79            80 
      1   0.280012D+00 -0.840859D+01 -0.844213D+01  0.268135D+01 -0.770246D+01
      2   0.969149D+00  0.324182D+01  0.411116D+00  0.368789D+01 -0.120669D+01
      3  -0.124916D+01  0.516677D+01  0.803102D+01 -0.636924D+01  0.890915D+01
      4   0.431413D+01 -0.454293D+01 -0.530745D+01  0.478980D+01 -0.613529D+01
      5   0.412353D+01 -0.554139D+01 -0.668912D+01  0.953716D+01 -0.740046D+01
      6  -0.303847D+01  0.914818D+01  0.119681D+02 -0.493631D+01  0.121763D+02
                81            82            83            84            85 
      1  -0.175960D+02  0.862227D+01  0.872407D-01  0.120953D+00 -0.701965D+00
      2  -0.950637D+01 -0.618508D+01  0.757489D+00  0.218232D+01  0.921562D+00
      3   0.271023D+02 -0.243719D+01 -0.844730D+00 -0.230327D+01 -0.219597D+00
      4  -0.858412D+01  0.134715D+02  0.123733D+02 -0.946213D+01  0.956531D+01
      5  -0.162694D+02 -0.121637D+02 -0.829768D+01  0.126745D+02 -0.643317D+01
      6   0.174208D+02 -0.821946D+01 -0.764324D+01  0.799927D+01 -0.632215D+01
                86            87            88            89            90 
      1  -0.621127D+01  0.322268D+01 -0.886192D+00  0.260535D+01 -0.528549D+01
      2   0.746632D+01 -0.180175D+01  0.309747D+01 -0.433466D+00 -0.390511D+01
      3  -0.125505D+01 -0.142093D+01 -0.221127D+01 -0.217188D+01  0.919059D+01
      4   0.130850D+02 -0.869715D+01 -0.925292D+01 -0.987071D+01  0.104633D+02
      5  -0.805603D+01  0.652328D+01  0.112684D+02  0.883800D+01 -0.132127D+02
      6  -0.116063D+02  0.105636D+02  0.843944D+01  0.119947D+02 -0.134600D+02
                91            92            93            94            95 
      1   0.329840D+02  0.118159D+02  0.146956D+02  0.138875D+02  0.113632D+02
      2  -0.178478D+02 -0.452713D+01 -0.758035D+01 -0.505904D+01 -0.259489D+01
      3  -0.151362D+02 -0.728874D+01 -0.711525D+01 -0.882842D+01 -0.876835D+01
      4   0.157276D+02  0.134117D+02  0.101176D+02  0.208046D+02  0.204749D+02
      5   0.187272D+02  0.100540D+02  0.172217D+02  0.985842D+01  0.842664D+01
      6   0.588875D+01  0.315275D+01  0.430653D+01  0.391740D+01  0.388728D+01
                96            97            98            99           100 
      1   0.638419D+01  0.332036D+02  0.142719D+02  0.146950D+02  0.480079D+02
      2  -0.201847D+01 -0.187322D+02 -0.655297D+01 -0.116173D+02 -0.278119D+02
      3  -0.436572D+01 -0.144714D+02 -0.771897D+01 -0.307775D+01 -0.201960D+02
      4   0.872568D+01  0.212421D+02  0.172962D+02  0.177441D+02 -0.145815D+02
      5   0.126327D+02  0.285487D+02  0.200710D+02  0.334436D+02 -0.152313D+02
      6   0.742676D+01  0.882485D+01  0.104495D+02  0.104859D+02  0.139786D+01
               101           102           103           104           105 
      1  -0.153982D+02 -0.113564D+02 -0.345774D+02  0.126103D+02  0.888004D+01
      2   0.961576D+01  0.828761D+01  0.198927D+02 -0.642222D+01 -0.706194D+01
      3   0.578248D+01  0.306876D+01  0.146847D+02 -0.618810D+01 -0.181810D+01
      4   0.121169D+02  0.520727D+01  0.174618D+02 -0.164904D+02 -0.701235D+01
      5   0.622092D+01  0.134861D+02  0.125091D+02 -0.751866D+01 -0.959000D+01
      6  -0.594499D+00  0.325294D+00 -0.172457D+01  0.190839D+01  0.283738D+01
               106           107           108           109           110 
      1  -0.174405D+02  0.648300D+01  0.103061D+02  0.318823D+01  0.645129D+01
      2   0.123307D+02 -0.550934D+01 -0.889993D+01 -0.174389D+01 -0.388345D+01
      3   0.510975D+01 -0.973663D+00 -0.140622D+01 -0.144434D+01 -0.256785D+01
      4   0.645085D+01 -0.695067D+01 -0.344951D+01  0.439538D+01  0.476148D+01
      5   0.172555D+02 -0.388430D+01 -0.115111D+02 -0.279849D+01 -0.321756D+00
      6  -0.583214D+00  0.368285D+01  0.109967D+01 -0.201134D+01  0.116414D+01
               111           112           113           114           115 
      1  -0.394057D+01  0.130756D+02 -0.158393D+01  0.536314D+01 -0.822544D+01
      2   0.173528D+01 -0.451946D+01  0.115643D+02 -0.504842D+01  0.450760D+01
      3   0.220528D+01 -0.855611D+01 -0.998032D+01 -0.314715D+00  0.371784D+01
      4  -0.661739D+00  0.209125D+02  0.390491D+02 -0.175958D+02 -0.842162D+01
      5   0.438558D+01 -0.722233D+01 -0.198398D+02  0.173458D+02  0.152865D+02
      6   0.354563D+00 -0.600742D+01 -0.175981D+02  0.131674D+02  0.676234D+01
               116           117           118           119           120 
      1   0.651112D+01 -0.124827D+01 -0.253556D+01 -0.620770D+01 -0.432982D+01
      2  -0.610839D+01 -0.187573D+01  0.265536D+01  0.802585D+01  0.424051D+01
      3  -0.402738D+00  0.312400D+01 -0.119798D+00 -0.181815D+01  0.893139D-01
      4  -0.218276D+02  0.181196D+02  0.569184D+01  0.781006D+01  0.489403D+01
      5   0.212588D+02 -0.186491D+02  0.244444D+01  0.327375D+01  0.467368D+01
      6   0.161653D+02 -0.128253D+02  0.678506D+01  0.702007D+01  0.567435D+01
               121           122           123           124           125 
      1  -0.529995D+01 -0.229767D+02 -0.848121D+01 -0.698085D+01 -0.188430D+02
      2   0.696414D+01  0.280013D+02  0.934595D+01  0.578094D+01  0.190062D+02
      3  -0.166419D+01 -0.502464D+01 -0.864743D+00  0.119991D+01 -0.163163D+00
      4   0.377468D+01  0.347732D+01  0.342385D+01  0.584651D+01  0.579036D+01
      5   0.164404D+01  0.259598D+01  0.109852D+01  0.509994D+01  0.362761D+01
      6   0.420411D+01  0.135898D+02  0.140734D+02  0.739819D+01  0.261060D+02
               126           127           128           129           130 
      1  -0.185105D+02 -0.129976D+01  0.285052D+01 -0.200034D+01 -0.340903D+01
      2   0.131844D+02  0.418834D+01 -0.560667D+01  0.234184D+01  0.158111D+01
      3   0.532614D+01 -0.288858D+01  0.275614D+01 -0.341505D+00  0.182792D+01
      4   0.412487D+01 -0.369309D+01  0.100057D+02 -0.369821D+01  0.561145D+01
      5   0.307160D+01  0.205344D+01 -0.233550D+01  0.360618D+01 -0.187567D+01
      6   0.229373D+02 -0.424903D+01  0.452939D+01 -0.870035D+00  0.668110D+00
               131           132           133           134           135 
      1  -0.414066D+02  0.132431D+02  0.411644D+00  0.222542D+02 -0.162239D+02
      2   0.576996D+02 -0.170983D+02  0.822768D+00 -0.271293D+02  0.148042D+02
      3  -0.162931D+02  0.385519D+01 -0.123441D+01  0.487510D+01  0.141977D+01
      4  -0.924129D+01  0.408246D+01 -0.388042D+01  0.531387D+01 -0.311686D+01
      5   0.305528D+01 -0.141618D+01  0.314850D+01 -0.171470D+01  0.222159D+01
      6  -0.263961D+02  0.163776D+02  0.187127D+01  0.263532D+02 -0.160098D+02
               136           137           138           139           140 
      1   0.146472D+02 -0.461306D+01  0.569210D+00 -0.691180D+01  0.608509D+01
      2  -0.647307D+00  0.649859D+01  0.749542D+01  0.102546D+02 -0.167370D+01
      3  -0.139999D+02 -0.188553D+01 -0.806463D+01 -0.334281D+01 -0.441138D+01
      4  -0.816805D+01 -0.305711D+01 -0.197214D+01 -0.897955D+01  0.140954D+02
      5   0.222855D+01 -0.653434D+01 -0.141800D+02 -0.809530D+01 -0.186070D+02
      6  -0.518323D+01 -0.856517D+01 -0.275992D+01 -0.126205D+02  0.185297D+02
               141           142           143           144           145 
      1  -0.404181D+01 -0.112441D+01 -0.191902D+01 -0.108563D+02  0.748989D+01
      2   0.135568D+02  0.765018D+01  0.100250D+02  0.284848D+01 -0.282179D+01
      3  -0.951504D+01 -0.652576D+01 -0.810602D+01  0.800782D+01 -0.466810D+01
      4  -0.148353D+02 -0.836511D+00 -0.984882D+01 -0.331645D+01 -0.153293D+02
      5  -0.826896D+01 -0.184944D+02 -0.575832D+01 -0.933435D+01 -0.184215D+02
      6  -0.176327D+02 -0.218957D+01 -0.136806D+02 -0.793857D+01  0.777023D+00
               146           147           148           149           150 
      1  -0.161949D+02 -0.162222D+02 -0.214576D+02 -0.201079D+02 -0.785821D+01
      2   0.129234D+02  0.651928D+01  0.193807D+02  0.225013D+00  0.653339D+01
      3   0.327155D+01  0.970289D+01  0.207691D+01  0.198829D+02  0.132482D+01
      4  -0.208165D+02 -0.334952D+01 -0.354911D+02  0.326991D+02 -0.165267D+02
      5  -0.362021D+01 -0.175075D+02 -0.550763D+01 -0.150205D+02 -0.116318D+02
      6  -0.171008D+01  0.685861D+00 -0.244151D+01  0.239895D+01 -0.656725D+00
               151           152           153           154           155 
      1  -0.218865D+02 -0.710102D+01 -0.185158D+02 -0.854299D+01  0.345690D+00
      2   0.639301D+01  0.599659D+01  0.159689D+02  0.128811D+01 -0.931714D-01
      3   0.154935D+02  0.110443D+01  0.254688D+01  0.725488D+01 -0.252519D+00
      4  -0.440532D+01 -0.170227D+02 -0.931832D+01  0.516220D+01  0.299954D+00
      5  -0.239888D+02 -0.989646D+01  0.304935D+02 -0.135816D+02  0.141636D+01
      6   0.627775D+00  0.130579D+01 -0.357394D+01  0.134198D+01 -0.306362D+01
               156           157           158           159           160 
      1   0.907696D+01  0.175378D+01 -0.235590D+01 -0.129409D+01  0.460169D+01
      2   0.303509D+01 -0.516040D+00  0.329249D+00 -0.123434D+01  0.143487D+01
      3  -0.121121D+02 -0.123774D+01  0.202665D+01  0.252843D+01 -0.603655D+01
      4  -0.935594D+00  0.156396D+01 -0.905847D+00  0.149543D+01 -0.853333D+00
      5   0.364398D+01  0.146120D+01  0.128088D+01  0.572927D+00  0.719826D+01
      6   0.157346D+01 -0.772886D+00 -0.912345D+00  0.365425D+01 -0.250333D-02
               161           162           163           164           165 
      1  -0.534473D+00 -0.311779D+01  0.704182D+01  0.273475D+01  0.695463D+00
      2  -0.407391D+00 -0.263479D+01 -0.109210D+02 -0.429226D+01 -0.117002D+02
      3   0.941863D+00  0.575258D+01  0.387922D+01  0.155751D+01  0.110047D+02
      4   0.744208D-01  0.125679D+01  0.570805D+01  0.608970D+01  0.407286D+01
      5  -0.227674D+00 -0.331931D+01  0.171792D+02  0.725988D+01  0.203017D+02
      6   0.276028D+01  0.100806D+01  0.552544D+01  0.656972D+01  0.468080D+01
               166           167           168           169           170 
      1   0.424703D+01 -0.221915D+01 -0.416492D+01  0.709160D+00 -0.211021D+01
      2  -0.682370D+01 -0.218904D+01 -0.100053D+02 -0.933096D+01 -0.573351D+01
      3   0.257667D+01  0.440819D+01  0.141702D+02  0.862180D+01  0.784372D+01
      4   0.695153D+01  0.656327D+01  0.830350D+01  0.302109D+01  0.550035D+01
      5   0.120338D+02  0.108096D+02  0.157076D+02  0.162704D+02  0.796567D+01
      6   0.750608D+01  0.834482D+01  0.126135D+02  0.434570D+01  0.919436D+01
               171           172           173           174           175 
      1  -0.711946D+01  0.785548D-01 -0.122918D+01 -0.186578D+00 -0.965204D+00
      2  -0.166573D+02  0.143460D-01 -0.874973D+00 -0.214984D+01 -0.167343D+01
      3   0.237768D+02 -0.929008D-01  0.210415D+01  0.233642D+01  0.263863D+01
      4   0.593738D+01 -0.508631D+01  0.823648D+01 -0.359269D+01  0.106848D+02
      5   0.231130D+02  0.477634D+01 -0.485946D+01  0.759060D+01 -0.715137D+01
      6   0.985434D+01 -0.432242D+01  0.552471D+01 -0.272511D+01  0.804308D+01
               176           177           178           179           180 
      1  -0.152691D+02  0.117963D+02 -0.751648D+00  0.668365D+01 -0.647872D+01
      2   0.168960D+02 -0.358800D+01 -0.158599D+01 -0.142361D+01 -0.894734D+00
      3  -0.162689D+01 -0.820827D+01  0.233764D+01 -0.526004D+01  0.737346D+01
      4  -0.208554D+02  0.108308D+02 -0.183560D+01  0.547826D+01 -0.483391D+01
      5   0.123985D+02 -0.979884D+01  0.589295D+01 -0.463433D+01  0.708970D+01
      6  -0.297546D+02  0.212459D+02 -0.256041D+01  0.133384D+02 -0.103666D+02
               181           182           183           184           185 
      1   0.101131D+02  0.252656D+01 -0.910835D+01  0.570968D+01  0.281581D+01
      2  -0.789907D+01 -0.178467D+01  0.671651D+01 -0.408701D+01 -0.962302D+00
      3  -0.221406D+01 -0.741889D+00  0.239185D+01 -0.162267D+01 -0.185350D+01
      4   0.166860D+01  0.417420D+01  0.404604D+00  0.705426D+01 -0.995270D+00
      5  -0.111989D+02 -0.363000D+00  0.150322D+02 -0.182980D+01 -0.350129D+01
      6   0.649125D+00 -0.355863D+00 -0.103496D+01 -0.107326D+01 -0.723910D+00
               186           187           188           189           190 
      1  -0.207767D+00 -0.191818D+02  0.607342D+00  0.892843D+01  0.144783D+02
      2   0.120516D+01  0.142914D+02  0.865672D+00 -0.180691D+02 -0.329094D+01
      3  -0.997394D+00  0.489038D+01 -0.147301D+01  0.914072D+01 -0.111873D+02
      4  -0.375061D+01  0.171295D+01 -0.673954D+01  0.256794D+01 -0.143542D+02
      5   0.581267D+01  0.254392D+02  0.320023D+01 -0.459015D+02  0.387298D+01
      6   0.363558D+01 -0.196181D+01  0.377192D+01  0.415584D+01 -0.894415D+00
               191           192           193           194           195 
      1  -0.964384D+01  0.377987D+01 -0.205603D+02  0.824493D+01  0.293801D+00
      2   0.114317D+01 -0.129634D+01  0.110559D+01  0.155659D+02 -0.238771D+01
      3   0.850067D+01 -0.248352D+01  0.194547D+02 -0.238109D+02  0.209391D+01
      4   0.182670D+02 -0.219335D+01  0.351521D+02 -0.521737D+02  0.858751D+01
      5  -0.159459D+01  0.496893D+01 -0.231161D+01  0.726560D+01 -0.912323D+01
      6   0.610021D+00 -0.659687D+00  0.124843D+01 -0.234887D+01  0.604934D+01
               196           197           198           199           200 
      1   0.838386D+01 -0.528450D+00  0.333424D+01  0.466154D+02  0.152762D+02
      2  -0.273189D+01 -0.195811D+01 -0.111610D+01 -0.242437D+02 -0.832318D+01
      3  -0.565197D+01  0.248656D+01 -0.221814D+01 -0.223717D+02 -0.695299D+01
      4  -0.530204D+01  0.999067D+01 -0.630818D+01  0.154985D+02  0.144552D+02
      5   0.900160D+01 -0.627959D+01  0.250326D+01  0.166490D+02  0.625925D+01
      6  -0.281247D+01  0.528747D+01 -0.254078D+01  0.912032D+00  0.685204D+00
               201           202           203           204           205 
      1   0.151193D+02  0.320099D+02  0.140096D+02  0.794632D+01  0.281302D+02
      2  -0.843192D+01 -0.164989D+02 -0.396674D+01 -0.497413D+01 -0.155540D+02
      3  -0.668740D+01 -0.155110D+02 -0.100428D+02 -0.297218D+01 -0.125761D+02
      4   0.610688D+01  0.215575D+02  0.147657D+02  0.101289D+02  0.800308D+01
      5   0.141466D+02  0.103217D+02  0.923508D+01  0.125217D+02  0.196411D+02
      6   0.743261D-01  0.184183D+01  0.182571D+01  0.241498D+01  0.114215D+01
               206           207           208           209           210 
      1   0.647951D+01  0.129058D+02 -0.124395D+01  0.154805D+01 -0.178956D+01
      2  -0.434120D+01 -0.104742D+02  0.304658D+01 -0.178095D+01  0.638835D+00
      3  -0.213831D+01 -0.243161D+01 -0.180262D+01  0.232901D+00  0.115072D+01
      4   0.116894D+02  0.792218D+01  0.794504D+00  0.688536D+01 -0.707285D+00
      5   0.813948D+01  0.144512D+02 -0.125542D+01  0.278791D+00  0.274271D+01
      6   0.214774D+01  0.207201D+01 -0.194235D+01  0.665555D+00  0.632680D+00
               211           212           213           214           215 
      1  -0.449970D+00 -0.236388D+02  0.382609D+01 -0.213929D+01  0.110148D+02
      2   0.218869D+01  0.388879D+02 -0.802760D+01 -0.905932D+00 -0.190834D+02
      3  -0.173872D+01 -0.152491D+02  0.420151D+01  0.304522D+01  0.806852D+01
      4   0.639544D+01  0.136685D+02 -0.187798D+01 -0.281991D+01 -0.617509D+01
      5   0.705947D-01 -0.145596D+01  0.264842D+01  0.308671D+01  0.389754D+01
      6  -0.286557D+00 -0.704681D+01  0.734411D+01  0.210109D+01  0.118861D+02
               216           217           218           219           220 
      1  -0.552030D+01  0.284292D+01 -0.293328D+01 -0.178249D+01 -0.273455D+01
      2   0.556034D+01 -0.420456D+01  0.433715D+00 -0.249424D+01  0.186442D+01
      3  -0.400356D-01  0.136164D+01  0.249956D+01  0.427673D+01  0.870127D+00
      4   0.458017D+01  0.709966D+01  0.951225D+01  0.862649D+01  0.574241D+01
      5  -0.819732D+00  0.101164D+02  0.772166D+01  0.116013D+02  0.374254D+01
      6  -0.446758D+01  0.686303D+01  0.816487D+01  0.780746D+01  0.515821D+01
               221           222           223           224           225 
      1  -0.102457D+02 -0.640210D+01 -0.167155D+01 -0.104356D+02 -0.165490D+02
      2   0.825017D+01  0.227367D+01 -0.225528D+01 -0.193480D+00 -0.557805D+01
      3   0.199550D+01  0.412843D+01  0.392683D+01  0.106291D+02  0.221271D+02
      4   0.100710D+02  0.723115D+01  0.888521D+01  0.105442D+02  0.134060D+02
      5   0.740169D+01  0.670794D+01  0.116497D+02  0.123214D+02  0.198525D+02
      6   0.113952D+02  0.131276D+02  0.870874D+01  0.199649D+02  0.241775D+02
               226           227           228           229           230 
      1   0.175448D+02 -0.876337D+01 -0.353471D+01 -0.663762D+01 -0.366197D+01
      2  -0.372403D+01 -0.398933D+00  0.159169D+01 -0.220859D+01  0.135521D+02
      3  -0.138208D+02  0.916231D+01  0.194301D+01  0.884621D+01 -0.989011D+01
      4  -0.273228D+02  0.226332D+02  0.101045D+02  0.191764D+02 -0.267048D+02
      5  -0.102489D+02  0.805981D+01  0.913181D+01  0.550746D+01 -0.774916D+01
      6   0.601298D+01 -0.670406D+01 -0.560784D+01 -0.503123D+01  0.914937D+01
               231           232           233           234 
      1  -0.139165D+01 -0.426309D+01  0.935512D+00  0.222224D+01
      2   0.281969D+01  0.164596D+01  0.417361D+01 -0.119282D+01
      3  -0.142804D+01  0.261713D+01 -0.510912D+01 -0.102943D+01
      4  -0.944069D+01  0.116774D+02 -0.147598D+02 -0.670596D+01
      5  -0.578165D+01  0.892346D+01 -0.436079D+01 -0.669624D+01
      6   0.655322D+01 -0.627489D+01  0.412602D+01  0.565976D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.654633D-01      0.166391D+00      0.555021D+00
   x         -0.699461D-02     -0.177785D-01     -0.593028D-01
   y         -0.419830D-01     -0.106710D+00     -0.355946D+00
   z         -0.497388D-01     -0.126423D+00     -0.421703D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.113035D+03      0.167501D+02      0.186370D+02
   aniso      0.270611D+02      0.401004D+01      0.446177D+01
   xx         0.126503D+03      0.187458D+02      0.208575D+02
   yx         0.399572D+01      0.592105D+00      0.658806D+00
   yy         0.115585D+03      0.171279D+02      0.190573D+02
   zx         0.411182D+00      0.609309D-01      0.677948D-01
   zy         0.240015D+01      0.355665D+00      0.395731D+00
   zz         0.970185D+02      0.143767D+02      0.159962D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.115325D+03      0.170893D+02      0.190145D+02
   aniso      0.269142D+02      0.398827D+01      0.443755D+01
   xx         0.128316D+03      0.190145D+02      0.211565D+02
   yx         0.423215D+01      0.627140D+00      0.697787D+00
   yy         0.118357D+03      0.175387D+02      0.195144D+02
   zx         0.613290D+00      0.908801D-01      0.101118D+00
   zy         0.240675D+01      0.356644D+00      0.396820D+00
   zz         0.993004D+02      0.147148D+02      0.163724D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          1.31315505         -0.31232063          1.90814427
     6          1.73813513         -2.03782781         -0.32973281
     6         -1.29348854          0.74004624          2.43145085
     6         -3.34170886         -0.01149217          0.60709473
     6         -5.89851730          1.08759508          1.15178788
     6         -2.93363759         -1.53756170         -1.34908162
     6         -0.45133936         -2.71447183         -2.04143417
     6          2.90039686          0.56825294         -0.29316582
     1          2.37312040         -0.76524544          3.60092051
     1          3.06458635         -3.57030424         -0.03720554
     1         -6.55362383          0.54572222          3.03762671
     1         -7.30253621          0.46650271         -0.22153506
     1         -5.83422198          3.15535156          1.12166285
     1         -0.00080883         -2.23689974         -4.00927637
     1         -0.68378311         -4.77166244         -2.03207899
     6          1.92455636          2.60281079         -2.04516912
     6          5.72415786          0.70729211          0.13526372
     1         -0.10622065          2.48853279         -2.34551613
     1          2.84513744          2.46711847         -3.89005981
     1          2.34989851          4.47554951         -1.28240874
     1          6.36686272         -0.78445880          1.40640859
     1          6.25779087          2.52185645          0.96909756
     1          6.75387928          0.50729030         -1.64580135
     1         -1.22816627          2.81190359          2.53479266
     1         -1.88224873          0.13433318          4.32236119
     1         -4.50992229         -1.99951334         -2.57993565

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.654633D-01      0.166391D+00      0.555021D+00
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.654633D-01      0.166391D+00      0.555021D+00

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.113035D+03      0.167501D+02      0.186370D+02
   aniso      0.270611D+02      0.401004D+01      0.446177D+01
   xx         0.125773D+03      0.186377D+02      0.207372D+02
   yx        -0.956602D+00     -0.141754D+00     -0.157722D+00
   yy         0.105388D+03      0.156169D+02      0.173762D+02
   zx        -0.526577D+01     -0.780307D+00     -0.868208D+00
   zy         0.959865D+01      0.142237D+01      0.158260D+01
   zz         0.107945D+03      0.159957D+02      0.177977D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.115325D+03      0.170893D+02      0.190145D+02
   aniso      0.269142D+02      0.398827D+01      0.443755D+01
   xx         0.127532D+03      0.188984D+02      0.210273D+02
   yx        -0.101213D+01     -0.149983D+00     -0.166879D+00
   yy         0.107947D+03      0.159961D+02      0.177980D+02
   zx        -0.550309D+01     -0.815473D+00     -0.907336D+00
   zy         0.983624D+01      0.145758D+01      0.162178D+01
   zz         0.110494D+03      0.163736D+02      0.182181D+02

 ----------------------------------------------------------------------
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 REALITY IS FOR PEOPLE WHO CAN'T FACE SCIENCE FICTION.
 Job cpu time:       0 days  3 hours 42 minutes 10.1 seconds.
 Elapsed time:       0 days  0 hours 18 minutes 34.2 seconds.
 File lengths (MBytes):  RWF=    292 Int=      0 D2E=      0 Chk=     13 Scr=      2
 Normal termination of Gaussian 16 at Thu Jul 22 20:21:51 2021.
